(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one

C32H42O2Si2 — CID 11318263

IUPAC(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one
SMILESCCCC[C@H]1C(=O)O[C@@H](C[Si](C)(C)c2ccccc2)[C@@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O2Si2/c1-6-7-23-28-31(29(34-32(28)33)24-35(2,3)27-21-15-10-16-22-27)36(4,5)30(25-17-11-8-12-18-25)26-19-13-9-14-20-26/h8-22,28-31H,6-7,23-24H2,1-5H3/t28-,29+,31-/m1/s1
InChIKeyJICSQCMKQRNGHQ-ATNBEAFSSA-N
MW514.86 g/mol
LogP7.78
Rot. Bonds10

About (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one

(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one (PubChem CID 11318263) has the molecular formula C32H42O2Si2 and a molecular weight of 514.86 g/mol. Its IUPAC name is (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one
PubChem CID11318263
Molecular FormulaC32H42O2Si2
Molecular Weight514.86 g/mol
Exact Mass514.27
IUPAC Name(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one
SMILESCCCC[C@H]1C(=O)O[C@@H](C[Si](C)(C)c2ccccc2)[C@@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O2Si2/c1-6-7-23-28-31(29(34-32(28)33)24-35(2,3)27-21-15-10-16-22-27)36(4,5)30(25-17-11-8-12-18-25)26-19-13-9-14-20-26/h8-22,28-31H,6-7,23-24H2,1-5H3/t28-,29+,31-/m1/s1
InChIKeyJICSQCMKQRNGHQ-ATNBEAFSSA-N
XLogP7.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.86
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one
CID 10264713
(3S,4R)-3-butyl-4-pentyloxetan-2-one;(3R,4R)-3-butyl-4-pentyloxetan-2-one;methane
CID 158289159
(3S,4S)-4-nonyl-3-octyloxetan-2-one
CID 146344694
(3S,4S)-3-pentyl-4-propyloxetan-2-one
CID 86576801
(3S,4S)-3-hexyl-4-[(2S)-2-phenylmethoxyheptyl]oxetan-2-one
CID 11842892
3-hexadecyl-4-(2-hydroxypropyl)oxetan-2-one
CID 19794812
4-butyl-3-methylidene-5-phenyloxolan-2-one
CID 15646352
icosyl-dimethyl-phenylsilane
CID 91054385
(3R,4S,5S)-4-methyl-3,5-dipentyloxolan-2-one
CID 10752571
(3S,4S)-4-[(2R)-2-hydroxytridecyl]-3-phenylsulfanyloxetan-2-one
CID 56998700
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
(3S,4R,5S,6R)-4-butyl-5-[tert-butyl(dimethyl)silyl]-3-[hydroxy(phenyl)methyl]-6-propan-2-yloxan-2-one
CID 11633116

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one?
The IUPAC name of (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one (CID 11318263) is (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one?
The canonical SMILES for (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one is CCCC[C@H]1C(=O)O[C@@H](C[Si](C)(C)c2ccccc2)[C@@H]1[Si](C)(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one?
The InChIKey is JICSQCMKQRNGHQ-ATNBEAFSSA-N. The full InChI is InChI=1S/C32H42O2Si2/c1-6-7-23-28-31(29(34-32(28)33)24-35(2,3)27-21-15-10-16-22-27)36(4,5)30(25-17-11-8-12-18-25)26-19-13-9-14-20-26/h8-22,28-31H,6-7,23-24H2,1-5H3/t28-,29+,31-/m1/s1.
What are the key properties of (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one?
(3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one has a molecular weight of 514.86 g/mol, XLogP of 7.78, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-4-[benzhydryl(dimethyl)silyl]-3-butyl-5-[[dimethyl(phenyl)silyl]methyl]oxolan-2-one is sourced from PubChem (CID 11318263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).