2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane

C11H18O2 — CID 3759165

IUPAC2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCC(C2OCCO2)C(C)C1
InChIInChI=1S/C11H18O2/c1-8-3-4-10(9(2)7-8)11-12-5-6-13-11/h3,9-11H,4-7H2,1-2H3
InChIKeyBXFGKPXLIYETAH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.35
Rot. Bonds1

About 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane

2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane (PubChem CID 3759165) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane
PubChem CID3759165
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCC(C2OCCO2)C(C)C1
InChIInChI=1S/C11H18O2/c1-8-3-4-10(9(2)7-8)11-12-5-6-13-11/h3,9-11H,4-7H2,1-2H3
InChIKeyBXFGKPXLIYETAH-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The IUPAC name of 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane (CID 3759165) is 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane is CC1=CCC(C2OCCO2)C(C)C1.
What is the InChIKey of 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The InChIKey is BXFGKPXLIYETAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-3-4-10(9(2)7-8)11-12-5-6-13-11/h3,9-11H,4-7H2,1-2H3.
What are the key properties of 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane is sourced from PubChem (CID 3759165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).