1,11-Undecanediol, 2,10-diethyl-2,10-dimethyl-
Basic information
- CAS
85018-66-2- Standard SMILES
CCC(C)(CO)CCCCCCCC(C)(CC)CO- InChIKey
BGVXIKLZWFTQMP-UHFFFAOYSA-N- Molecular formula
- C17H36O2
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 272.27153039
Names & identifiers
- Preferred name
- 1,11-Undecanediol, 2,10-diethyl-2,10-dimethyl-
- IUPAC
- 2,10-diethyl-2,10-dimethylundecane-1,11-diol
- English name
- 1,11-Undecanediol, 2,10-diethyl-2,10-dimethyl-
- Molecular formula
- C17H36O2
- Molecular weight
- 272.47
Names & synonyms
1,11-Undecanediol, 2,10-diethyl-2,10-dimethyl-85018-66-2RefChem:10518482,10-Diethyl-2,10-dimethyl-1,11-undecanediol2,10-diethyl-2,10-dimethylundecane-1,11-diolSCHEMBL11091732DTXSID501005357
Database identifiers
- CAS
85018-66-2- PubChem CID
- 3069682
- DTXSID
DTXSID501005357
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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