Basic information
- CAS
94247-94-6- Standard SMILES
OC1CCC2CCCC12- InChIKey
AOONMBCPMGBOBG-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- Octahydropentalenol
- IUPAC
- 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
- English name
- octahydropentalenol
- Molecular formula
- C8H14O
- Molecular weight
- 126.19616
Names & synonyms
OctahydropentalenolOctahydropentalen-1-ol94247-94-6Octahydro-1-pentalenol1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol37465-25-1EINECS 304-264-0Octahydro-1-pentalenol #Bicyclo[3.3.0]octan-2-olSCHEMBL6428213SCHEMBL155448102-hydroxybicyclo[3,3,0]octane
Show more names
6-hydroxybicyclo[3,3,0]octaneDTXSID40915907NS000655171,2,3,3a,4,5,6,6a-octahydro-pentalen-1-ol
Database identifiers
- CAS
94247-94-6- PubChem CID
- 549090
- DTXSID
DTXSID40915907- EC Number
- 304-264-0
- Nikkaji
- J1.806.341G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Chemistry & industry
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京迪泰医药科技有限公司010-13810111756 13011240343 · [email protected]
Related reactions
5 records
Compound notes
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