2-(oxan-2-yl)cyclohexan-1-one

C11H18O2 — CID 10655030

IUPAC2-(oxan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCO1
InChIInChI=1S/C11H18O2/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h9,11H,1-8H2
InChIKeyLHFVBLSVRNCRIM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds1

About 2-(oxan-2-yl)cyclohexan-1-one

2-(oxan-2-yl)cyclohexan-1-one (PubChem CID 10655030) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(oxan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(oxan-2-yl)cyclohexan-1-one
PubChem CID10655030
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(oxan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCO1
InChIInChI=1S/C11H18O2/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h9,11H,1-8H2
InChIKeyLHFVBLSVRNCRIM-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14028109
1-Cyclohexyl-3-methoxypropan-1-one
CID 61412917
2-Oxaspiro(5.5)undecan-5-one
CID 82413223
3,3-Dimethyl-1-(oxan-2-yl)butan-2-one
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3-(Oxan-2-yl)cyclohexan-1-one
CID 154716353

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(oxan-2-yl)cyclohexan-1-one (CID 10655030) is 2-(oxan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(oxan-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(oxan-2-yl)cyclohexan-1-one is O=C1CCCCC1C1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)cyclohexan-1-one?
The InChIKey is LHFVBLSVRNCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h9,11H,1-8H2.
What are the key properties of 2-(oxan-2-yl)cyclohexan-1-one?
2-(oxan-2-yl)cyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 10655030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).