Basic information
- CAS
2226-14-4- Standard SMILES
CC(O)CCCC1C2CCC(C2)C1(C)C- InChIKey
MRENMCYNWXGZMV-UHFFFAOYSA-N- Molecular formula
- C14H26O
- Average molar mass
- 210.36 g/mol
- Monoisotopic mass
- 210.19836545
Names & identifiers
- Preferred name
- alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol
- IUPAC
- 5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ol
- English name
- alpha,3,3-trimethylbicyclo[2.2.1]heptane-2-butanol
- Molecular formula
- C14H26O
- Molecular weight
- 210.35564
Names & synonyms
EINECS 218-758-82226-14-4alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanolalpha,3,3-trimethylbicyclo[2.2.1]heptane-2-butanolRefChem:110992218-758-8DTXSID70944922NS000478355-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pentan-2-ol3,3-Dimethylbicyclo[2.2.1]heptane-2-pentan-2-ol5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ol
Database identifiers
- CAS
2226-14-4- PubChem CID
- 102770
- DTXSID
DTXSID70944922- EC Number
- 218-758-8
- Nikkaji
- J299.190J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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