(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one

C35H55NO4Si — CID 51031891

IUPAC(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H]1OC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H55NO4Si/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-32(37)33-31(36-34(38)40-33)28-39-41(35(2,3)4,29-23-18-16-19-24-29)30-25-20-17-21-26-30/h16-21,23-26,31-33,37H,5-15,22,27-28H2,1-4H3,(H,36,38)/t31-,32+,33+/m0/s1
InChIKeyBKHVYGWHMJQYIZ-WIHCDAFUSA-N
MW581.91 g/mol
LogP7.49
Rot. Bonds19

About (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one

(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one (PubChem CID 51031891) has the molecular formula C35H55NO4Si and a molecular weight of 581.91 g/mol. Its IUPAC name is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one
PubChem CID51031891
Molecular FormulaC35H55NO4Si
Molecular Weight581.91 g/mol
Exact Mass581.39
IUPAC Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H]1OC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H55NO4Si/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-32(37)33-31(36-34(38)40-33)28-39-41(35(2,3)4,29-23-18-16-19-24-29)30-25-20-17-21-26-30/h16-21,23-26,31-33,37H,5-15,22,27-28H2,1-4H3,(H,36,38)/t31-,32+,33+/m0/s1
InChIKeyBKHVYGWHMJQYIZ-WIHCDAFUSA-N
XLogP7.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.91
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-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

(1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol
CID 11072311
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one
CID 162511254
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
CID 10667817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
CID 11005929
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one (CID 51031891) is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one is CCCCCCCCCCCCCC[C@@H](O)[C@@H]1OC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one?
The InChIKey is BKHVYGWHMJQYIZ-WIHCDAFUSA-N. The full InChI is InChI=1S/C35H55NO4Si/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-32(37)33-31(36-34(38)40-33)28-39-41(35(2,3)4,29-23-18-16-19-24-29)30-25-20-17-21-26-30/h16-21,23-26,31-33,37H,5-15,22,27-28H2,1-4H3,(H,36,38)/t31-,32+,33+/m0/s1.
What are the key properties of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one?
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one has a molecular weight of 581.91 g/mol, XLogP of 7.49, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 51031891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).