(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one

C14H16O3 — CID 10513737

IUPAC(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC=C[C@]1(COCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C14H16O3/c1-2-14(9-8-13(15)17-14)11-16-10-12-6-4-3-5-7-12/h2-7H,1,8-11H2/t14-/m1/s1
InChIKeyZCQWOUIBPYRFHA-CQSZACIVSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds5

About (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one

(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 10513737) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID10513737
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC=C[C@]1(COCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C14H16O3/c1-2-14(9-8-13(15)17-14)11-16-10-12-6-4-3-5-7-12/h2-7H,1,8-11H2/t14-/m1/s1
InChIKeyZCQWOUIBPYRFHA-CQSZACIVSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-hydroxy-2-methylbut-3-enoxy)methyl]-5-(phenylmethoxymethyl)oxolan-2-one
CID 155395483
(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 124677269
5-amino-5-phenylmethoxyoxolan-2-one
CID 18469009
(2R)-2-but-3-enyl-2-(phenylmethoxymethyl)cyclohexan-1-one
CID 102031690
5-oxo-3-(phenylmethoxymethyl)oxolane-3-carbaldehyde
CID 23256312
[5-oxo-2-(phenylmethoxymethyl)oxolan-2-yl]methyl octanoate
CID 155395352
2,2-dimethylpropanoyl chloride;5-(hydroxymethyl)-5-(phenylmethoxymethyl)oxolan-2-one;[5-oxo-2-(phenylmethoxymethyl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 162081901
5-oxo-2-phenylmethoxyoxolane-2-carboxamide
CID 18468992
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
(2R)-2-[benzyl(prop-2-enyl)amino]-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 102508964
benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 165343304
(2S,3S,4S)-2-ethenyl-5-methylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 24769812

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one (CID 10513737) is (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one is C=C[C@]1(COCc2ccccc2)CCC(=O)O1.
What is the InChIKey of (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is ZCQWOUIBPYRFHA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-14(9-8-13(15)17-14)11-16-10-12-6-4-3-5-7-12/h2-7H,1,8-11H2/t14-/m1/s1.
What are the key properties of (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one?
(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 10513737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).