Cycloheptadecanone
Basic information
- CAS
3661-77-6- Standard SMILES
O=C1CCCCCCCCCCCCCCCC1- InChIKey
KBQDZEMXPBDNGH-UHFFFAOYSA-N- Molecular formula
- C17H32O
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.24531564
Names & identifiers
- Preferred name
- Cycloheptadecanone
- IUPAC
- cycloheptadecanone
- English name
- Cycloheptadecanone
- Molecular formula
- C17H32O
- Molecular weight
- 252.44
Names & synonyms
Cycloheptadecanone3661-77-6DihydrocivetoneCivetone, dihydro-AI3-38744DTXSID10190087RefChem:129501DTXCID20112578609-273-6KBQDZEMXPBDNGH-UHFFFAOYSA-NcycloheptadecanonSCHEMBL2196782
Show more names
SCHEMBL28674264
Database identifiers
- CAS
3661-77-6- PubChem CID
- 77226
- DTXSID
DTXSID10190087- EC Number
- 609-273-6
- Nikkaji
- J13.297G
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 369.66 °C · 369.66°C (rough estimate)
- Density
- 0.9652 · 0.9652 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- Odor
- 1 %indipropylene · at 1.00%indipropylene glycol. musk
- LogP
- 6.619 · 6.619 (est)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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