tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate

C32H47NO4Si — CID 11649533

IUPACtert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCC1=C(CO)CCCC1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-31(2,3)37-30(35)33-27(22-21-25-15-13-14-16-26(25)23-34)24-36-38(32(4,5)6,28-17-9-7-10-18-28)29-19-11-8-12-20-29/h7-12,17-20,27,34H,13-16,21-24H2,1-6H3,(H,33,35)/t27-/m1/s1
InChIKeyGMOKROAJXQJTNJ-HHHXNRCGSA-N
MW537.82 g/mol
LogP6.10
Rot. Bonds10

About tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate

tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate (PubChem CID 11649533) has the molecular formula C32H47NO4Si and a molecular weight of 537.82 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate
PubChem CID11649533
Molecular FormulaC32H47NO4Si
Molecular Weight537.82 g/mol
Exact Mass537.33
IUPAC Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCC1=C(CO)CCCC1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-31(2,3)37-30(35)33-27(22-21-25-15-13-14-16-26(25)23-34)24-36-38(32(4,5)6,28-17-9-7-10-18-28)29-19-11-8-12-20-29/h7-12,17-20,27,34H,13-16,21-24H2,1-6H3,(H,33,35)/t27-/m1/s1
InChIKeyGMOKROAJXQJTNJ-HHHXNRCGSA-N
XLogP6.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.82
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
CID 162646706
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 11079467
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
1,1-dimethylpropyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(1,1-dimethylpropoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
CID 481870
tert-butyl N-[(2S)-4-(2-acetylcyclohexen-1-yl)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
CID 11284257
tert-butyl N-[(2S)-6-amino-1-[tert-butyl(diphenyl)silyl]oxyhexan-2-yl]carbamate
CID 101750563
tert-butyl N-[(2S,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-tri(propan-2-yl)silyloxyoctadecan-2-yl]carbamate
CID 102371631
tert-butyl N-[(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450325
tert-butyl N-[(3R,4S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450326

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate (CID 11649533) is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CCC1=C(CO)CCCC1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate?
The InChIKey is GMOKROAJXQJTNJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H47NO4Si/c1-31(2,3)37-30(35)33-27(22-21-25-15-13-14-16-26(25)23-34)24-36-38(32(4,5)6,28-17-9-7-10-18-28)29-19-11-8-12-20-29/h7-12,17-20,27,34H,13-16,21-24H2,1-6H3,(H,33,35)/t27-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate has a molecular weight of 537.82 g/mol, XLogP of 6.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 11649533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).