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Details

Stereochemistry MIXED
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-3-(((1R,2S,4R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL)OXY)-1-PROPANOL, (±)-

SMILES

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

InChI

InChIKey=YCOHHRPARVZBHK-JOEFCEOISA-N
InChI=1S/C14H26O2/c1-10(8-15)9-16-12-7-11-5-6-14(12,4)13(11,2)3/h10-12,15H,5-9H2,1-4H3/t10?,11-,12+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H26O2
Molecular Weight 226.355
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:43 GMT 2023
Edited
by admin
on Sat Dec 16 10:48:43 GMT 2023
Record UNII
GZ7ZFZ1ZUT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-3-(((1R,2S,4R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL)OXY)-1-PROPANOL, (±)-
Common Name English
BORNAFIX
Brand Name English
2-METHYL-3-((1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-YL)OXY)PROPAN-1-OL
Systematic Name English
1-PROPANOL, 2-METHYL-3-((1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL)OXY)-
Systematic Name English
REL-2-METHYL-3-(((1R,2S,4R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL)OXY)-1-PROPANOL
Common Name English
1-PROPANOL, 2-METHYL-3-(((1R,2S,4R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL)OXY)-, REL-
Common Name English
Code System Code Type Description
CAS
916676-29-4
Created by admin on Sat Dec 16 10:48:44 GMT 2023 , Edited by admin on Sat Dec 16 10:48:44 GMT 2023
PRIMARY
FDA UNII
GZ7ZFZ1ZUT
Created by admin on Sat Dec 16 10:48:44 GMT 2023 , Edited by admin on Sat Dec 16 10:48:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID4051322
Created by admin on Sat Dec 16 10:48:44 GMT 2023 , Edited by admin on Sat Dec 16 10:48:44 GMT 2023
PRIMARY
PUBCHEM
154926039
Created by admin on Sat Dec 16 10:48:44 GMT 2023 , Edited by admin on Sat Dec 16 10:48:44 GMT 2023
PRIMARY
CAS
128119-70-0
Created by admin on Sat Dec 16 10:48:44 GMT 2023 , Edited by admin on Sat Dec 16 10:48:44 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY