2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one

C11H14O3 — CID 15038615

IUPAC2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one
SMILESCC1=CC(=O)OC(C2CC=CCC2)O1
InChIInChI=1S/C11H14O3/c1-8-7-10(12)14-11(13-8)9-5-3-2-4-6-9/h2-3,7,9,11H,4-6H2,1H3
InChIKeyRXMVHHJJPYULPS-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.15
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one

2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one (PubChem CID 15038615) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one
PubChem CID15038615
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one
SMILESCC1=CC(=O)OC(C2CC=CCC2)O1
InChIInChI=1S/C11H14O3/c1-8-7-10(12)14-11(13-8)9-5-3-2-4-6-9/h2-3,7,9,11H,4-6H2,1H3
InChIKeyRXMVHHJJPYULPS-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2,2-Dimethyl-6-(3-methylbutyl)-1,3-dioxin-4-one
CID 139754293
1-(Cyclohex-3-en-1-ylmethoxy)ethyl prop-2-enoate
CID 140431542
(2R)-2-[(4-methyl-4,4a-dihydronaphthalen-2-yl)oxy]-2H-furan-5-one
CID 153341711
2-Tert-butyl-6-hex-5-enyl-1,3-dioxin-4-one
CID 10657574
2,6-Dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxin-4-one
CID 11195407

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one?
The IUPAC name of 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one (CID 15038615) is 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one?
The canonical SMILES for 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one is CC1=CC(=O)OC(C2CC=CCC2)O1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one?
The InChIKey is RXMVHHJJPYULPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-7-10(12)14-11(13-8)9-5-3-2-4-6-9/h2-3,7,9,11H,4-6H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one?
2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one has a molecular weight of 194.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-6-methyl-1,3-dioxin-4-one is sourced from PubChem (CID 15038615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).