6-METHYL-5-HEPTEN-2-ONE PROPYLENEGLYCOL ACETAL, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H20O2
Molecular Weight	184.2753
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-METHYL-5-HEPTEN-2-ONE PROPYLENEGLYCOL ACETAL, TRANS-

Structure Search

SMILES

C[C@@H]1CO[C@@](C)(CCC=C(C)C)O1

InChI

InChIKey=WBZMYLUNPPFHTA-GHMZBOCLSA-N

InChI=1S/C11H20O2/c1-9(2)6-5-7-11(4)12-8-10(3)13-11/h6,10H,5,7-8H2,1-4H3/t10-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H20O2
Molecular Weight	184.2753
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 17:43:52 GMT 2023` Edited by `admin` on `Sat Dec 16 17:43:52 GMT 2023`
Record UNII	R3X87906N8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-METHYL-5-HEPTEN-2-ONE PROPYLENEGLYCOL ACETAL, TRANS-

Common Name

English

6-METHYL-5-HEPTEN-2-ONE PROPYLENEGLYCOL ACETAL, TRANS-(±)-

Common Name

English

1,3-DIOXOLANE, 2,4-DIMETHYL-2-(4-METHYL-3-PENTENYL)-, TRANS-

Common Name

English

FEMA NO. 4400, TRANS-

Code

English

(±)-6-METHYL-5-HEPTEN-2-ONE PROPYLENEGLYCOL ACETAL, TRANS-

Common Name

English

Code System Code Type Description

FDA UNII

R3X87906N8

Created by admin on Sat Dec 16 17:43:52 GMT 2023 , Edited by admin on Sat Dec 16 17:43:52 GMT 2023

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EPA CompTox

DTXSID80152197

Created by admin on Sat Dec 16 17:43:52 GMT 2023 , Edited by admin on Sat Dec 16 17:43:52 GMT 2023

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CAS

118672-98-3

Created by admin on Sat Dec 16 17:43:52 GMT 2023 , Edited by admin on Sat Dec 16 17:43:52 GMT 2023

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PUBCHEM

71587440

Created by admin on Sat Dec 16 17:43:52 GMT 2023 , Edited by admin on Sat Dec 16 17:43:52 GMT 2023

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