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Details

Stereochemistry RACEMIC
Molecular Formula C10H18
Molecular Weight 138.2499
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PINANE, CIS-

SMILES

C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C

InChI

InChIKey=XOKSLPVRUOBDEW-VGMNWLOBSA-N
InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H18
Molecular Weight 138.2499
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:17 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:17 GMT 2023
Record UNII
TV65U59B7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PINANE, CIS-
Common Name English
BICYCLO(3.1.1)HEPTANE, 2,6,6-TRIMETHYL-, (1R,2S,5R)-REL-
Systematic Name English
(±)-CIS-PINANE
Common Name English
Code System Code Type Description
PUBCHEM
10969850
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
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FDA UNII
TV65U59B7P
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
PRIMARY
CAS
6876-13-7
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID6027638
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-978-9
Created by admin on Sat Dec 16 08:57:17 GMT 2023 , Edited by admin on Sat Dec 16 08:57:17 GMT 2023
PRIMARY