4-TERT-BUTYLCYCLOHEXANYL ACETATE, TRANS-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H22O2
Molecular Weight	198.3019
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-TERT-BUTYLCYCLOHEXANYL ACETATE, TRANS-

Structure Search

SMILES

CC(=O)O[C@H]1CC[C@@H](CC1)C(C)(C)C

InChI

InChIKey=MBZRJSQZCBXRGK-XYPYZODXSA-N

InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11-

HIDE SMILES / InChI

Molecular Formula	C12H22O2
Molecular Weight	198.3019
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:04:29 GMT 2023` Edited by `admin` on `Sat Dec 16 09:04:29 GMT 2023`
Record UNII	ATR4EHD017
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-TERT-BUTYLCYCLOHEXANYL ACETATE, TRANS-

Systematic Name

English

TRANS-4-TERT-BUTYL-1-ACETOXYCYCLOHEXANE

Systematic Name

English

CYCLOHEXANOL, 4-TERT-BUTYL-, ACETATE, TRANS-

Systematic Name

English

CYCLOHEXANOL, 4-(1,1-DIMETHYLETHYL)-, ACETATE, TRANS-

Systematic Name

English

TRANS-4-TERT-BUTYLCYCLOHEXYL ACETATE

Systematic Name

English

CYCLOHEXANOL, 4-(1,1-DIMETHYLETHYL)-, 1-ACETATE, TRANS-

Systematic Name

English

4-TERT-BUTYLCYCLOHEXANOL ACETATE, TRANS-

Systematic Name

English

TRANS-P-TERT-BUTYLCYCLOHEXYL ACETATE

Common Name

English

Code System Code Type Description

CAS

1900-69-2

Created by admin on Sat Dec 16 09:04:29 GMT 2023 , Edited by admin on Sat Dec 16 09:04:29 GMT 2023

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FDA UNII

ATR4EHD017

Created by admin on Sat Dec 16 09:04:29 GMT 2023 , Edited by admin on Sat Dec 16 09:04:29 GMT 2023

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ECHA (EC/EINECS)

217-598-6

Created by admin on Sat Dec 16 09:04:29 GMT 2023 , Edited by admin on Sat Dec 16 09:04:29 GMT 2023

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RXCUI

2374918

Created by admin on Sat Dec 16 09:04:29 GMT 2023 , Edited by admin on Sat Dec 16 09:04:29 GMT 2023

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EPA CompTox

DTXSID701014582

Created by admin on Sat Dec 16 09:04:29 GMT 2023 , Edited by admin on Sat Dec 16 09:04:29 GMT 2023

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SMS_ID

300000038505

Created by admin on Sat Dec 16 09:04:29 GMT 2023 , Edited by admin on Sat Dec 16 09:04:29 GMT 2023

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DAILYMED

ATR4EHD017

Created by admin on Sat Dec 16 09:04:29 GMT 2023 , Edited by admin on Sat Dec 16 09:04:29 GMT 2023

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