2-cyclohexyl-3-ethoxycyclobutan-1-one

C12H20O2 — CID 86174625

IUPAC2-cyclohexyl-3-ethoxycyclobutan-1-one
SMILESCCOC1CC(=O)C1C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-14-11-8-10(13)12(11)9-6-4-3-5-7-9/h9,11-12H,2-8H2,1H3
InChIKeyZBDXLJKQFVWQQR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds3

About 2-cyclohexyl-3-ethoxycyclobutan-1-one

2-cyclohexyl-3-ethoxycyclobutan-1-one (PubChem CID 86174625) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclohexyl-3-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name2-cyclohexyl-3-ethoxycyclobutan-1-one
PubChem CID86174625
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclohexyl-3-ethoxycyclobutan-1-one
SMILESCCOC1CC(=O)C1C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-14-11-8-10(13)12(11)9-6-4-3-5-7-9/h9,11-12H,2-8H2,1H3
InChIKeyZBDXLJKQFVWQQR-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-
CID 89285
2-(Oxan-2-yl)cyclohexan-1-one
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Ethyl 2-(2-cyclohexylethyl)-3-oxobutanoate
CID 230430
1-Cyclohexyl-3-methoxypropan-1-one
CID 61412917
1-(4-Fluoro-2-isopropoxycyclohexyl)ethanone
CID 118646988
1-[(2R,4S)-4-methyloxan-2-yl]propan-2-one
CID 66825054
(3S,4R)-4-cyclohexyl-3-methyloxetan-2-one
CID 11275238
(2R)-2-cyclohexyloxepan-4-one
CID 11424138
2-(1-Methoxybutyl)cyclohexan-1-one
CID 12570585
2-(1-Methoxy-4-methyl-6-oxoheptyl)cyclohexan-1-one
CID 12570588
4-Ethoxy-6,10-dimethylundecan-2-one
CID 13901448
(3R,4R)-4-cyclohexyl-3-methyloxetan-2-one
CID 13928178

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-ethoxycyclobutan-1-one?
The IUPAC name of 2-cyclohexyl-3-ethoxycyclobutan-1-one (CID 86174625) is 2-cyclohexyl-3-ethoxycyclobutan-1-one.
What is the SMILES notation for 2-cyclohexyl-3-ethoxycyclobutan-1-one?
The canonical SMILES for 2-cyclohexyl-3-ethoxycyclobutan-1-one is CCOC1CC(=O)C1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-ethoxycyclobutan-1-one?
The InChIKey is ZBDXLJKQFVWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-14-11-8-10(13)12(11)9-6-4-3-5-7-9/h9,11-12H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-3-ethoxycyclobutan-1-one?
2-cyclohexyl-3-ethoxycyclobutan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-ethoxycyclobutan-1-one is sourced from PubChem (CID 86174625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).