2-phenyl-2-propan-2-yl-1,3-dioxolane

C12H16O2 — CID 12842802

IUPAC2-phenyl-2-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1(c2ccccc2)OCCO1
InChIInChI=1S/C12H16O2/c1-10(2)12(13-8-9-14-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyJYCAFFQWMPJORU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.54
Rot. Bonds2

About 2-phenyl-2-propan-2-yl-1,3-dioxolane

2-phenyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 12842802) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-phenyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-phenyl-2-propan-2-yl-1,3-dioxolane
PubChem CID12842802
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-phenyl-2-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1(c2ccccc2)OCCO1
InChIInChI=1S/C12H16O2/c1-10(2)12(13-8-9-14-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyJYCAFFQWMPJORU-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-2-propan-2-yl-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-phenyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-phenyl-2-propan-2-yl-1,3-dioxolane (CID 12842802) is 2-phenyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-phenyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-phenyl-2-propan-2-yl-1,3-dioxolane is CC(C)C1(c2ccccc2)OCCO1.
What is the InChIKey of 2-phenyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is JYCAFFQWMPJORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(2)12(13-8-9-14-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-phenyl-2-propan-2-yl-1,3-dioxolane?
2-phenyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 12842802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).