2,2-dimethyl-4-phenyl-1,3-dioxolane

C11H14O2 — CID 537869

IUPAC2,2-dimethyl-4-phenyl-1,3-dioxolane
SMILESCC1(C)OCC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-11(2)12-8-10(13-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeySFDXYHMRHIVYET-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.51
Rot. Bonds1

About 2,2-dimethyl-4-phenyl-1,3-dioxolane

2,2-dimethyl-4-phenyl-1,3-dioxolane (PubChem CID 537869) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-1,3-dioxolane
PubChem CID537869
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,2-dimethyl-4-phenyl-1,3-dioxolane
SMILESCC1(C)OCC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-11(2)12-8-10(13-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeySFDXYHMRHIVYET-UHFFFAOYSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-phenyl-1,3-dioxolane (CID 537869) is 2,2-dimethyl-4-phenyl-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-phenyl-1,3-dioxolane is CC1(C)OCC(c2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-1,3-dioxolane?
The InChIKey is SFDXYHMRHIVYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)12-8-10(13-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-phenyl-1,3-dioxolane?
2,2-dimethyl-4-phenyl-1,3-dioxolane has a molecular weight of 178.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-1,3-dioxolane is sourced from PubChem (CID 537869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).