(4S)-3-benzyl-4-propan-2-yloxolan-2-one

C14H18O2 — CID 58743247

IUPAC(4S)-3-benzyl-4-propan-2-yloxolan-2-one
SMILESCC(C)[C@@H]1COC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H18O2/c1-10(2)13-9-16-14(15)12(13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12?,13-/m0/s1
InChIKeyRENCMFPRMFXMKX-ABLWVSNPSA-N
MW218.30 g/mol
LogP2.67
Rot. Bonds3

About (4S)-3-benzyl-4-propan-2-yloxolan-2-one

(4S)-3-benzyl-4-propan-2-yloxolan-2-one (PubChem CID 58743247) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4S)-3-benzyl-4-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(4S)-3-benzyl-4-propan-2-yloxolan-2-one
PubChem CID58743247
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(4S)-3-benzyl-4-propan-2-yloxolan-2-one
SMILESCC(C)[C@@H]1COC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H18O2/c1-10(2)13-9-16-14(15)12(13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12?,13-/m0/s1
InChIKeyRENCMFPRMFXMKX-ABLWVSNPSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-3-benzyl-4-propan-2-yloxolan-2-one 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

(3R,4S)-3,4-dibenzyloxolan-2-one
CID 14546898
(3S,4R)-4-benzyl-5-oxooxolane-3-carboxylic acid
CID 102287294
(3R,4S)-4-[(1R)-1-bromo-2-methylpropyl]-3-[(4-methylphenyl)methyl]oxolan-2-one
CID 57301061
4-benzyl-3-methyloxolan-2-one
CID 86193814
ethyl (3S,4S)-4-benzyl-5-oxooxolane-3-carboxylate
CID 102287301
(5S,6S)-5-benzyl-6-propan-2-yl-1,3-oxathian-4-one
CID 131864004
(3S,4S)-4-[(R)-hydroxy-(3-hydroxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 101139436
N-[(3S,4S)-4-benzyl-5-oxooxolan-3-yl]-2-nitrobenzenesulfonamide
CID 139065129
6-(1-amino-2-methylpropyl)-4-benzyloxan-2-one
CID 67588457
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzyl-4-propan-2-yloxolan-2-one?
The IUPAC name of (4S)-3-benzyl-4-propan-2-yloxolan-2-one (CID 58743247) is (4S)-3-benzyl-4-propan-2-yloxolan-2-one.
What is the SMILES notation for (4S)-3-benzyl-4-propan-2-yloxolan-2-one?
The canonical SMILES for (4S)-3-benzyl-4-propan-2-yloxolan-2-one is CC(C)[C@@H]1COC(=O)C1Cc1ccccc1.
What is the InChIKey of (4S)-3-benzyl-4-propan-2-yloxolan-2-one?
The InChIKey is RENCMFPRMFXMKX-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)13-9-16-14(15)12(13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (4S)-3-benzyl-4-propan-2-yloxolan-2-one?
(4S)-3-benzyl-4-propan-2-yloxolan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzyl-4-propan-2-yloxolan-2-one is sourced from PubChem (CID 58743247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).