(4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one

C13H14O3 — CID 715850

IUPAC(4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one
SMILESC=C1OC(=O)O[C@]1(C)CCc1ccccc1
InChIInChI=1S/C13H14O3/c1-10-13(2,16-12(14)15-10)9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3/t13-/m1/s1
InChIKeyZMZKNLCDEJNCMA-CYBMUJFWSA-N
MW218.25 g/mol
LogP3.06
Rot. Bonds3

About (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one

(4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one (PubChem CID 715850) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one
PubChem CID715850
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one
SMILESC=C1OC(=O)O[C@]1(C)CCc1ccccc1
InChIInChI=1S/C13H14O3/c1-10-13(2,16-12(14)15-10)9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3/t13-/m1/s1
InChIKeyZMZKNLCDEJNCMA-CYBMUJFWSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one (CID 715850) is (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one is C=C1OC(=O)O[C@]1(C)CCc1ccccc1.
What is the InChIKey of (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one?
The InChIKey is ZMZKNLCDEJNCMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14O3/c1-10-13(2,16-12(14)15-10)9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3/t13-/m1/s1.
What are the key properties of (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one?
(4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one has a molecular weight of 218.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 715850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).