Completing data — usually done within a minute
Basic information
- CAS
94300-41-1- Standard SMILES
O=C1CCCCCC=CCCCCCCCCO1- InChIKey
NVIPUOMWGQAOIT-UHFFFAOYSA-N- Molecular formula
- C16H28O2
- Average molar mass
- 252.39 g/mol
Overview
See also: Oxacycloheptadec-8-en-2-one, (8Z)- (annotation moved to).
Names & identifiers
- Preferred name
- 1-Oxacycloheptadec-8-en-2-one
- IUPAC
- 1-oxacycloheptadec-8-en-2-one
Names & synonyms
1-oxacycloheptadec-8-en-2-oneRefChem:1056168DTXCID40810645DTXSID30861762Oxacycloheptadec-8-en-2-oneSpecPlus_000403Spectrum3_001041Spectrum4_001178KBioGR_001815DivK1c_006499SCHEMBL1539182KBio1_001443
Show more names
KBio3_001782NVIPUOMWGQAOIT-UHFFFAOYSA-NDB-231605
Database identifiers
- CAS
94300-41-1- PubChem CID
- 31267
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 233
Safety & regulation
Hazard information
Regulatory InformationChemical: Oxacycloheptadec-8-en-2-one
Other Safety InformationIMAP assessments - Oxacycloheptadec-8-en-2-one: Human health tier I assessment
Related reactions
2 records
Compound notes
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