Basic information
- CAS
5392-57-4- Standard SMILES
CC(C)(O)CCCCCO- InChIKey
XICLOMYOBVKLTR-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 6-Methyl-1,6-heptanediol
- IUPAC
- 6-methylheptane-1,6-diol
Names & synonyms
6-Methyl-1,6-heptanediol5392-57-4DTXSID101312897RefChem:1074049DTXCID0017427366-Methylheptane-1,6-diolstarbld00015706-Methyl-1,6-heptanediol #SCHEMBL5907144SCHEMBL28406377SCHEMBL29247956XICLOMYOBVKLTR-UHFFFAOYSA-N
Show more names
AT40652
Database identifiers
- CAS
5392-57-4- PubChem CID
- 547731
- DTXSID
DTXSID101312897- Nikkaji
- J2.218.351F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.3
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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