Basic information
- CAS
4481-78-1- Standard SMILES
O=C1CCCC2(CCCCC2)O1- InChIKey
KRSNUDOGPSONQI-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 1-Oxaspiro(5.5)undecan-2-one
- IUPAC
- 1-oxaspiro[5.5]undecan-2-one
- English name
- 1-oxaspiro[5.5]undecan-2-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23284
Names & synonyms
1-oxaspiro[5.5]undecan-2-one4481-78-1EINECS 224-763-61-Oxaspiro(5.5)undecan-2-oneDTXSID00196311RefChem:76816DTXCID10118802224-763-6SCHEMBL49404562F2L3FU5R1-oxaspiro[5.5]undecan-2-onKRSNUDOGPSONQI-UHFFFAOYSA-N
Show more names
NS00031459Spiro[cyclohexane-1,2'-[2H]pyran]-6'(3'H)-one, 4',5'-dihydro-
Database identifiers
- CAS
4481-78-1- PubChem CID
- 78233
- DTXSID
DTXSID00196311- UNII
- 62F2L3FU5R
- EC Number
- 224-763-6
- Nikkaji
- J205.862F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- FDA UNII
- 62 F2L3FU5R · 62F2L3FU5R
Chemistry & industry
Suppliers1 total
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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