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

C13H18O2 — CID 14065915

IUPAC2,2-diethyl-4-phenyl-1,3-dioxolane
SMILESCCC1(CC)OCC(c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-3-13(4-2)14-10-12(15-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyKDDDPZDUKVHZIU-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.29
Rot. Bonds3

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

2,2-diethyl-4-phenyl-1,3-dioxolane (PubChem CID 14065915) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,2-diethyl-4-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-diethyl-4-phenyl-1,3-dioxolane
PubChem CID14065915
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2,2-diethyl-4-phenyl-1,3-dioxolane
SMILESCCC1(CC)OCC(c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-3-13(4-2)14-10-12(15-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyKDDDPZDUKVHZIU-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-phenyl-1,3-dioxolane?
The IUPAC name of 2,2-diethyl-4-phenyl-1,3-dioxolane (CID 14065915) is 2,2-diethyl-4-phenyl-1,3-dioxolane.
What is the SMILES notation for 2,2-diethyl-4-phenyl-1,3-dioxolane?
The canonical SMILES for 2,2-diethyl-4-phenyl-1,3-dioxolane is CCC1(CC)OCC(c2ccccc2)O1.
What is the InChIKey of 2,2-diethyl-4-phenyl-1,3-dioxolane?
The InChIKey is KDDDPZDUKVHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-13(4-2)14-10-12(15-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of 2,2-diethyl-4-phenyl-1,3-dioxolane?
2,2-diethyl-4-phenyl-1,3-dioxolane has a molecular weight of 206.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-phenyl-1,3-dioxolane is sourced from PubChem (CID 14065915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).