(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one

C21H24O2 — CID 15305341

IUPAC(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one
SMILESCCC(C)C[C@H]1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H24O2/c1-3-15(2)14-18-19(16-10-6-4-7-11-16)20(23-21(18)22)17-12-8-5-9-13-17/h4-13,15,18-20H,3,14H2,1-2H3/t15?,18-,19+,20+/m1/s1
InChIKeyZDIJJGBJUWYHQN-YVJFFELESA-N
MW308.42 g/mol
LogP5.12
Rot. Bonds5

About (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one

(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one (PubChem CID 15305341) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one
PubChem CID15305341
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one
SMILESCCC(C)C[C@H]1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H24O2/c1-3-15(2)14-18-19(16-10-6-4-7-11-16)20(23-21(18)22)17-12-8-5-9-13-17/h4-13,15,18-20H,3,14H2,1-2H3/t15?,18-,19+,20+/m1/s1
InChIKeyZDIJJGBJUWYHQN-YVJFFELESA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 2-[[(3S,4S,5S)-2-oxo-4,5-diphenyloxolan-3-yl]methyl]propanedioate
CID 122202127
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one
CID 163073070
(3S,4S,5R)-3-[(dibenzylamino)methyl]-4,5-diphenyloxolan-2-one
CID 72725128
trans-[(2S)-2-methylbutyl] (2S,3S)-2,3-diphenylcyclopropane-1-carboxylate
CID 11771260
cis-[(2S)-2-methylbutyl] (2R,3S)-2,3-diphenylcyclopropane-1-carboxylate
CID 11404071
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
2-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]butan-1-one
CID 14288141
(4R,5S)-4-methyl-3-[(4S)-4-methylhexanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57040880
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
(3R,4R,5R)-2-oxo-5-pentan-2-yl-4-phenyloxolane-3-carbonitrile
CID 100998681
(3R,4R,5S)-2-oxo-5-pentan-2-yl-4-phenyloxolane-3-carbonitrile
CID 100998680

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one?
The IUPAC name of (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one (CID 15305341) is (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one.
What is the SMILES notation for (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one?
The canonical SMILES for (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one is CCC(C)C[C@H]1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one?
The InChIKey is ZDIJJGBJUWYHQN-YVJFFELESA-N. The full InChI is InChI=1S/C21H24O2/c1-3-15(2)14-18-19(16-10-6-4-7-11-16)20(23-21(18)22)17-12-8-5-9-13-17/h4-13,15,18-20H,3,14H2,1-2H3/t15?,18-,19+,20+/m1/s1.
What are the key properties of (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one?
(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one has a molecular weight of 308.42 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one is sourced from PubChem (CID 15305341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).