tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate

C30H45NO3Si — CID 161390684

IUPACtert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C30H45NO3Si/c1-28(2,3)34-27(32)31-30(7,8)24-20-19-23(21-24)22-33-35(29(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24H,19-22H2,1-8H3,(H,31,32)/t23-,24?/m0/s1
InChIKeyVSYHNWMJMURNKZ-UXMRNZNESA-N
MW495.78 g/mol
LogP6.28
Rot. Bonds7

About tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate

tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate (PubChem CID 161390684) has the molecular formula C30H45NO3Si and a molecular weight of 495.78 g/mol. Its IUPAC name is tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
PubChem CID161390684
Molecular FormulaC30H45NO3Si
Molecular Weight495.78 g/mol
Exact Mass495.32
IUPAC Nametert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C30H45NO3Si/c1-28(2,3)34-27(32)31-30(7,8)24-20-19-23(21-24)22-33-35(29(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24H,19-22H2,1-8H3,(H,31,32)/t23-,24?/m0/s1
InChIKeyVSYHNWMJMURNKZ-UXMRNZNESA-N
XLogP6.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.78
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate 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

tert-butyl 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate
CID 69060280
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
CID 159922386
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 10506331
tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
CID 118990032
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 155658327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate (CID 161390684) is tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate?
The InChIKey is VSYHNWMJMURNKZ-UXMRNZNESA-N. The full InChI is InChI=1S/C30H45NO3Si/c1-28(2,3)34-27(32)31-30(7,8)24-20-19-23(21-24)22-33-35(29(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24H,19-22H2,1-8H3,(H,31,32)/t23-,24?/m0/s1.
What are the key properties of tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate?
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate has a molecular weight of 495.78 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate is sourced from PubChem (CID 161390684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).