Basic information
- CAS
60564-78-5- Standard SMILES
CC(C)C(C)CCCCO- InChIKey
JSRZLXKKHMYWLL-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 5,6-Dimethyl-1-heptanol
- IUPAC
- 5,6-dimethylheptan-1-ol
- English name
- 5,6-dimethylheptan-1-ol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
5,6-Dimethylheptan-1-ol60564-78-5DTXSID509760045,6-Dimethyl-1-heptanolRefChem:1072210DTXCID301403387262-299-6EINECS 262-299-6SCHEMBL574360SCHEMBL1442509SCHEMBL8820404JSRZLXKKHMYWLL-UHFFFAOYSA-N
Show more names
1-Heptanol, 5,6-dimethyl-
DB-306350NS00055982
Database identifiers
- CAS
60564-78-5- PubChem CID
- 108477
- DTXSID
DTXSID50976004- EC Number
- 262-299-6
- Nikkaji
- J268.224I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 69.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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