Basic information
- CAS
28664-08-6- Standard SMILES
CC1(C)C2CCC(O)C1C2- InChIKey
DEDZBEBBIUTZAJ-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Overview
structure in first source
Names & identifiers
- Preferred name
- Nopinol
- IUPAC
- 6,6-dimethylbicyclo[3.1.1]heptan-2-ol
- English name
- 6,6-dimethylbicyclo[3.1.1]heptan-2-ol
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
28664-08-66,6-DIMETHYLBICYCLO[3.1.1]HEPTAN-2-OL6,6-Dimethylbicyclo(3.1.1)heptan-2-olnopinolDTXSID80951324RefChem:927890DTXCID301379445249-135-9EINECS 249-135-9NSC251000SCHEMBL11695798DEDZBEBBIUTZAJ-UHFFFAOYSA-N
Show more names
Bicyclo[3.1.1]heptan-2-ol, 6,6-dimethyl-
NSC 251000NSC-251000NS000490986,6-DIMETHYLBICYLCO[3.1.1]HEPTAN-2-OL
Database identifiers
- CAS
28664-08-6- PubChem CID
- 99892
- DTXSID
DTXSID80951324- EC Number
- 249-135-9
- Nikkaji
- J19.983D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 199.1 · 199.1±8.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.40(Predicted)
- LogP
- 2.269 · 2.269 (est)
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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