.ALPHA.-THUJENE, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H16
Molecular Weight	136.234
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@]12C[C@@H]1C(C)=CC2

InChI

InChIKey=KQAZVFVOEIRWHN-NXEZZACHSA-N

InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H16
Molecular Weight	136.234
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 11:35:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:35:48 GMT 2023`
Record UNII	RN746W3HMX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-THUJENE, (-)-

Common Name

English

3-THUJENE, (1R,5R)-(-)-

Systematic Name

English

BICYCLO(3.1.0)HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-, (1R,5R)-

Systematic Name

English

BICYCLO(3.1.0)HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-, (1R)-

Systematic Name

English

(1R,5R)-2-METHYL-5-(1-METHYLETHYL)BICYCLO(3.1.0)HEX-2-ENE

Systematic Name

English

(-)-.ALPHA.-THUJENE

Common Name

English

Code System Code Type Description

CAS

3917-48-4

Created by admin on Sat Dec 16 11:35:48 GMT 2023 , Edited by admin on Sat Dec 16 11:35:48 GMT 2023

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FDA UNII

RN746W3HMX

Created by admin on Sat Dec 16 11:35:48 GMT 2023 , Edited by admin on Sat Dec 16 11:35:48 GMT 2023

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EPA CompTox

DTXSID001317501

Created by admin on Sat Dec 16 11:35:48 GMT 2023 , Edited by admin on Sat Dec 16 11:35:48 GMT 2023

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PUBCHEM

637518

Created by admin on Sat Dec 16 11:35:48 GMT 2023 , Edited by admin on Sat Dec 16 11:35:48 GMT 2023

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