ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate

C16H20O4 — CID 135054570

IUPACethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate
SMILESC=C[C@]1(C)COC(O)(c2ccccc2)C1C(=O)OCC
InChIInChI=1S/C16H20O4/c1-4-15(3)11-20-16(18,12-9-7-6-8-10-12)13(15)14(17)19-5-2/h4,6-10,13,18H,1,5,11H2,2-3H3/t13?,15-,16?/m1/s1
InChIKeyFFUBRJAKLWEABZ-OGVSOVDVSA-N
MW276.33 g/mol
LogP2.23
Rot. Bonds4

About ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate

ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate (PubChem CID 135054570) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate
PubChem CID135054570
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate
SMILESC=C[C@]1(C)COC(O)(c2ccccc2)C1C(=O)OCC
InChIInChI=1S/C16H20O4/c1-4-15(3)11-20-16(18,12-9-7-6-8-10-12)13(15)14(17)19-5-2/h4,6-10,13,18H,1,5,11H2,2-3H3/t13?,15-,16?/m1/s1
InChIKeyFFUBRJAKLWEABZ-OGVSOVDVSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate
CID 135057283
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
ethyl 3-ethenyl-1-methyl-3-phenylpyrrolidine-2-carboxylate
CID 11357399
ethyl (1S,1aS,6bR)-6b-methyl-1a-phenyl-1H-cyclopropa[b][1]benzofuran-1-carboxylate
CID 10891723
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
ethyl 4-hydroxy-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 10967911
ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate
CID 12859642
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
CID 97357628
diethyl (2R,3S)-2-phenyloxirane-2,3-dicarboxylate
CID 132536299
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
ethyl (1S,2S,4S)-2-(2,2-dichloroethenyl)-4-hydroxy-6-oxo-4-phenylcyclohexane-1-carboxylate
CID 25426402

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate?
The IUPAC name of ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate (CID 135054570) is ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate?
The canonical SMILES for ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate is C=C[C@]1(C)COC(O)(c2ccccc2)C1C(=O)OCC.
What is the InChIKey of ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate?
The InChIKey is FFUBRJAKLWEABZ-OGVSOVDVSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-15(3)11-20-16(18,12-9-7-6-8-10-12)13(15)14(17)19-5-2/h4,6-10,13,18H,1,5,11H2,2-3H3/t13?,15-,16?/m1/s1.
What are the key properties of ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate?
ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-ethenyl-2-hydroxy-4-methyl-2-phenyloxolane-3-carboxylate is sourced from PubChem (CID 135054570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).