U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H20O
Molecular Weight 168.2759
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NSC-1285

SMILES

CC1(C)[C@@H]2C[C@H]1[C@H](CCO)CC2

InChI

InChIKey=RCRVMCSPZAMFKV-GUBZILKMSA-N
InChI=1S/C11H20O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H20O
Molecular Weight 168.2759
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 12:52:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:54 GMT 2023
Record UNII
3GJ6TJ5GIN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-1285
Code English
BICYCLO(3.1.1)HEPTANE-2-ETHANOL, 6,6-DIMETHYL-, (1S,2S,5S)-
Common Name English
BICYCLO(3.1.1)HEPTANE-2-ETHANOL, 6,6-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
225-267-2
Created by admin on Sat Dec 16 12:52:54 GMT 2023 , Edited by admin on Sat Dec 16 12:52:54 GMT 2023
PRIMARY
CAS
133001-09-9
Created by admin on Sat Dec 16 12:52:54 GMT 2023 , Edited by admin on Sat Dec 16 12:52:54 GMT 2023
PRIMARY
FDA UNII
3GJ6TJ5GIN
Created by admin on Sat Dec 16 12:52:54 GMT 2023 , Edited by admin on Sat Dec 16 12:52:54 GMT 2023
PRIMARY
PUBCHEM
22850928
Created by admin on Sat Dec 16 12:52:54 GMT 2023 , Edited by admin on Sat Dec 16 12:52:54 GMT 2023
PRIMARY
CAS
4747-61-9
Created by admin on Sat Dec 16 12:52:54 GMT 2023 , Edited by admin on Sat Dec 16 12:52:54 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID301188452
Created by admin on Sat Dec 16 12:52:54 GMT 2023 , Edited by admin on Sat Dec 16 12:52:54 GMT 2023
PRIMARY
NSC
1285
Created by admin on Sat Dec 16 12:52:54 GMT 2023 , Edited by admin on Sat Dec 16 12:52:54 GMT 2023
PRIMARY