4,7,7-TRIMETHYL-2-(3-METHYL-2-BUTEN-1-YL)BICYCLO(4.1.0)HEPTAN-3-ONE

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Details

Stereochemistry	MIXED
Molecular Formula	C15H24O
Molecular Weight	220.3505
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,7,7-TRIMETHYL-2-(3-METHYL-2-BUTEN-1-YL)BICYCLO(4.1.0)HEPTAN-3-ONE

Structure Search

SMILES

CC1C[C@@H]2[C@H](C(CC=C(C)C)C1=O)C2(C)C

InChI

InChIKey=HCRHVSPDKOSFIT-TUUUFIMRSA-N

InChI=1S/C15H24O/c1-9(2)6-7-11-13-12(15(13,4)5)8-10(3)14(11)16/h6,10-13H,7-8H2,1-5H3/t10?,11?,12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H24O
Molecular Weight	220.3505
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:02:41 GMT 2025` Edited by `admin` on `Mon Mar 31 23:02:41 GMT 2025`
Record UNII	RVU21J753H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRECARONE

Preferred Name

English

4,7,7-TRIMETHYL-2-(3-METHYL-2-BUTEN-1-YL)BICYCLO(4.1.0)HEPTAN-3-ONE

Systematic Name

English

BICYCLO(4.1.0)HEPTAN-3-ONE, 4,7,7-TRIMETHYL-2-(3-METHYL-2-BUTEN-1-YL)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

277-895-1

Created by admin on Mon Mar 31 23:02:41 GMT 2025 , Edited by admin on Mon Mar 31 23:02:41 GMT 2025

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PUBCHEM

121494096

Created by admin on Mon Mar 31 23:02:41 GMT 2025 , Edited by admin on Mon Mar 31 23:02:41 GMT 2025

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EPA CompTox

DTXSID70868311

Created by admin on Mon Mar 31 23:02:41 GMT 2025 , Edited by admin on Mon Mar 31 23:02:41 GMT 2025

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FDA UNII

RVU21J753H

Created by admin on Mon Mar 31 23:02:41 GMT 2025 , Edited by admin on Mon Mar 31 23:02:41 GMT 2025

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CAS

74499-58-4

Created by admin on Mon Mar 31 23:02:41 GMT 2025 , Edited by admin on Mon Mar 31 23:02:41 GMT 2025

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