[(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C36H45NO4Si — CID 15420149

IUPAC[(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)/C1=C/c1ccccc1
InChIInChI=1S/C36H45NO4Si/c1-34(2,3)42(28-19-13-9-14-20-28,29-21-15-10-16-22-29)41-32-24-23-31(30(32)25-27-17-11-8-12-18-27)40-33(38)37-35(4,5)26-39-36(37,6)7/h8-22,25,31-32H,23-24,26H2,1-7H3/b30-25+/t31-,32+/m1/s1
InChIKeyHDENMEKBSYDTCH-NTPWGEEWSA-N
MW583.85 g/mol
LogP7.16
Rot. Bonds6

About [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 15420149) has the molecular formula C36H45NO4Si and a molecular weight of 583.85 g/mol. Its IUPAC name is [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID15420149
Molecular FormulaC36H45NO4Si
Molecular Weight583.85 g/mol
Exact Mass583.31
IUPAC Name[(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)/C1=C/c1ccccc1
InChIInChI=1S/C36H45NO4Si/c1-34(2,3)42(28-19-13-9-14-20-28,29-21-15-10-16-22-29)41-32-24-23-31(30(32)25-27-17-11-8-12-18-27)40-33(38)37-35(4,5)26-39-36(37,6)7/h8-22,25,31-32H,23-24,26H2,1-7H3/b30-25+/t31-,32+/m1/s1
InChIKeyHDENMEKBSYDTCH-NTPWGEEWSA-N
XLogP7.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.85
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2E)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 15420150
[(1R,2E,3R)-2-benzylidene-3-trityloxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 10973963
[(1R,2E)-2-benzylidene-3-(dibenzylamino)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100951874
[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134999066
[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101001504
[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 102092048
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
CID 67092775
methyl (1S,3R,4R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylbicyclo[3.1.0]hexane-1-carboxylate
CID 11625671
[(1R,2R,3S)-2-benzyl-3-(dibenzylamino)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 135054445
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
[(1S,3S,4S,5R)-3-acetyloxy-5-[tert-butyl(diphenyl)silyl]oxy-4-methylcyclohexyl] acetate
CID 10863628

Frequently Asked Questions

What is the IUPAC name of [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 15420149) is [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)O[C@@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)/C1=C/c1ccccc1.
What is the InChIKey of [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is HDENMEKBSYDTCH-NTPWGEEWSA-N. The full InChI is InChI=1S/C36H45NO4Si/c1-34(2,3)42(28-19-13-9-14-20-28,29-21-15-10-16-22-29)41-32-24-23-31(30(32)25-27-17-11-8-12-18-27)40-33(38)37-35(4,5)26-39-36(37,6)7/h8-22,25,31-32H,23-24,26H2,1-7H3/b30-25+/t31-,32+/m1/s1.
What are the key properties of [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 583.85 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2E,3S)-2-benzylidene-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15420149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).