(4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane

C12H14O2 — CID 122225000

IUPAC(4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane
SMILESC=C[C@@]1(c2ccccc2)COC(C)O1
InChIInChI=1S/C12H14O2/c1-3-12(9-13-10(2)14-12)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10?,12-/m0/s1
InChIKeyFXIBQAWVNXIQME-KFJBMODSSA-N
MW190.24 g/mol
LogP2.46
Rot. Bonds2

About (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane

(4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane (PubChem CID 122225000) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane
PubChem CID122225000
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane
SMILESC=C[C@@]1(c2ccccc2)COC(C)O1
InChIInChI=1S/C12H14O2/c1-3-12(9-13-10(2)14-12)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10?,12-/m0/s1
InChIKeyFXIBQAWVNXIQME-KFJBMODSSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.46
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 (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane?
The IUPAC name of (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane (CID 122225000) is (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane is C=C[C@@]1(c2ccccc2)COC(C)O1.
What is the InChIKey of (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane?
The InChIKey is FXIBQAWVNXIQME-KFJBMODSSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-12(9-13-10(2)14-12)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3/t10?,12-/m0/s1.
What are the key properties of (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane?
(4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane has a molecular weight of 190.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-2-methyl-4-phenyl-1,3-dioxolane is sourced from PubChem (CID 122225000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).