ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate

C21H22O3 — CID 42601267

IUPACethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@H]1CC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C21H22O3/c1-2-23-20(22)14-13-19-15-21(16-24-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,19H,2,15-16H2,1H3/b14-13+/t19-/m0/s1
InChIKeyYIXXTOUOTHPPRW-KQDNUWKFSA-N
MW322.40 g/mol
LogP3.88
Rot. Bonds5

About ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate

ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate (PubChem CID 42601267) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate
PubChem CID42601267
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Nameethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@H]1CC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C21H22O3/c1-2-23-20(22)14-13-19-15-21(16-24-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,19H,2,15-16H2,1H3/b14-13+/t19-/m0/s1
InChIKeyYIXXTOUOTHPPRW-KQDNUWKFSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate 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 ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate (CID 42601267) is ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate is CCOC(=O)/C=C/[C@H]1CC(c2ccccc2)(c2ccccc2)CO1.
What is the InChIKey of ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate?
The InChIKey is YIXXTOUOTHPPRW-KQDNUWKFSA-N. The full InChI is InChI=1S/C21H22O3/c1-2-23-20(22)14-13-19-15-21(16-24-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,19H,2,15-16H2,1H3/b14-13+/t19-/m0/s1.
What are the key properties of ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate?
ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(2R)-4,4-diphenyloxolan-2-yl]prop-2-enoate is sourced from PubChem (CID 42601267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).