2-cyclohexyl-1,3-dioxin-4-one

C10H14O3 — CID 13399415

IUPAC2-cyclohexyl-1,3-dioxin-4-one
SMILESO=C1C=COC(C2CCCCC2)O1
InChIInChI=1S/C10H14O3/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h6-8,10H,1-5H2
InChIKeyRGOJQLYMJFTWMU-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.98
Rot. Bonds1

About 2-cyclohexyl-1,3-dioxin-4-one

2-cyclohexyl-1,3-dioxin-4-one (PubChem CID 13399415) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxin-4-one
PubChem CID13399415
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-cyclohexyl-1,3-dioxin-4-one
SMILESO=C1C=COC(C2CCCCC2)O1
InChIInChI=1S/C10H14O3/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h6-8,10H,1-5H2
InChIKeyRGOJQLYMJFTWMU-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-1,3-dioxin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxin-4-one?
The IUPAC name of 2-cyclohexyl-1,3-dioxin-4-one (CID 13399415) is 2-cyclohexyl-1,3-dioxin-4-one.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxin-4-one?
The canonical SMILES for 2-cyclohexyl-1,3-dioxin-4-one is O=C1C=COC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-1,3-dioxin-4-one?
The InChIKey is RGOJQLYMJFTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h6-8,10H,1-5H2.
What are the key properties of 2-cyclohexyl-1,3-dioxin-4-one?
2-cyclohexyl-1,3-dioxin-4-one has a molecular weight of 182.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxin-4-one is sourced from PubChem (CID 13399415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).