Basic information
- CAS
51149-72-5- Standard SMILES
CCOCC(=O)CC1=CCCCC1- InChIKey
DMBFWWMYLQDOSA-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-
- IUPAC
- 1-(cyclohexen-1-yl)-3-ethoxypropan-2-one
- English name
- 1-(1-Cyclohexenyl)-3-ethoxy-2-propanone
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-51149-72-5DTXSID60311700RefChem:266017DTXCID602628241-(cyclohex-1-en-1-yl)-3-ethoxypropan-2-oneNSC2449231-(1-Cyclohexenyl)-3-ethoxy-2-propanoneDMBFWWMYLQDOSA-UHFFFAOYSA-NNSC-2449231-(1-Cyclohexen-1-yl)-3-ethoxyacetone #
Database identifiers
- CAS
51149-72-5- PubChem CID
- 316619
- DTXSID
DTXSID60311700- Nikkaji
- J113.141I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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