2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane

C12H16O2 — CID 118140942

IUPAC2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
SMILESCc1ccccc1C1OC(C)OC1C
InChIInChI=1S/C12H16O2/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7,9-10,12H,1-3H3
InChIKeyVWPSHSQBLYUYQW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.82
Rot. Bonds1

About 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane

2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane (PubChem CID 118140942) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
PubChem CID118140942
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
SMILESCc1ccccc1C1OC(C)OC1C
InChIInChI=1S/C12H16O2/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7,9-10,12H,1-3H3
InChIKeyVWPSHSQBLYUYQW-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane 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 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane (CID 118140942) is 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane is Cc1ccccc1C1OC(C)OC1C.
What is the InChIKey of 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane?
The InChIKey is VWPSHSQBLYUYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7,9-10,12H,1-3H3.
What are the key properties of 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane?
2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 118140942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).