3-Ethyl-2-methylheptan-3-ol
Basic information
- CAS
66719-37-7- Standard SMILES
CCCCC(O)(CC)C(C)C- InChIKey
GYCRUUSYQLIIBA-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 3-Ethyl-2-methylheptan-3-ol
- IUPAC
- 3-ethyl-2-methylheptan-3-ol
Names & synonyms
3-ethyl-2-methylheptan-3-ol66719-37-7DTXSID70334889RefChem:279144DTXCID202859783-Heptanol, 3-ethyl-2-methyl-3-ethyl-2-methyl-3-heptanolSCHEMBL12224081AKOS014480066
Database identifiers
- CAS
66719-37-7- PubChem CID
- 522223
- DTXSID
DTXSID70334889
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99
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Related reactions
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Compound notes
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