1,3-Propanediol, 2-ethyl-2-isopentyl-
Basic information
- CAS
25450-96-8- Standard SMILES
CCC(CO)(CO)CCC(C)C- InChIKey
NUIKGQMJEKJURJ-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-isopentyl-
- IUPAC
- 2-ethyl-2-(3-methylbutyl)propane-1,3-diol
Names & synonyms
1,3-Propanediol, 2-ethyl-2-isopentyl-BRN 173810425450-96-82-Ethyl-2-isopentyl-1,3-propanediolDTXSID601801154-01-00-02621 (Beilstein Handbook Reference)RefChem:219648DTXCID701026062-ethyl-2-(3-methylbutyl)propane-1,3-diol2-ethyl-2-(3-methyl-butyl)-propane-1,3-diolSCHEMBL11195867AKOS018004845
Database identifiers
- CAS
25450-96-8- PubChem CID
- 212993
- DTXSID
DTXSID60180115
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 106
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Related reactions
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Compound notes
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