2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane

C11H18O2 — CID 560036

IUPAC2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCC(C2(C)OCCO2)CC1
InChIInChI=1S/C11H18O2/c1-9-3-5-10(6-4-9)11(2)12-7-8-13-11/h3,10H,4-8H2,1-2H3
InChIKeyHSJOCUHSKVHGCL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds1

About 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane

2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane (PubChem CID 560036) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
PubChem CID560036
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCC(C2(C)OCCO2)CC1
InChIInChI=1S/C11H18O2/c1-9-3-5-10(6-4-9)11(2)12-7-8-13-11/h3,10H,4-8H2,1-2H3
InChIKeyHSJOCUHSKVHGCL-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane (CID 560036) is 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane is CC1=CCC(C2(C)OCCO2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
The InChIKey is HSJOCUHSKVHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-3-5-10(6-4-9)11(2)12-7-8-13-11/h3,10H,4-8H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane is sourced from PubChem (CID 560036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).