tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate

C32H48N2O6Si — CID 123812780

IUPACtert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)CCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C32H48N2O6Si/c1-30(2,3)39-28(36)33-24(17-16-22-27(35)34-29(37)40-31(4,5)6)23-38-41(32(7,8)9,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h10-15,18-21,24H,16-17,22-23H2,1-9H3,(H,33,36)(H,34,35,37)
InChIKeyBBNQVQGLXDRBST-UHFFFAOYSA-N
MW584.83 g/mol
LogP5.68
Rot. Bonds10

About tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate

tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate (PubChem CID 123812780) has the molecular formula C32H48N2O6Si and a molecular weight of 584.83 g/mol. Its IUPAC name is tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate
PubChem CID123812780
Molecular FormulaC32H48N2O6Si
Molecular Weight584.83 g/mol
Exact Mass584.33
IUPAC Nametert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)CCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C32H48N2O6Si/c1-30(2,3)39-28(36)33-24(17-16-22-27(35)34-29(37)40-31(4,5)6)23-38-41(32(7,8)9,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h10-15,18-21,24H,16-17,22-23H2,1-9H3,(H,33,36)(H,34,35,37)
InChIKeyBBNQVQGLXDRBST-UHFFFAOYSA-N
XLogP5.68
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.83
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-nitrohexan-2-yl]carbamate
CID 11249074
tert-butyl N-[(2S)-4-(2-acetylcyclohexen-1-yl)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
CID 11284257
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidine-1-carboxylate
CID 11713890
tert-butyl N-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxo-1-tri(propan-2-yl)silyloxyoctadecan-2-yl]carbamate
CID 11814770
tert-butyl N-[(2S)-6-amino-1-[tert-butyl(diphenyl)silyl]oxyhexan-2-yl]carbamate
CID 101750563
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-oxononan-2-yl]carbamate
CID 134865010
Methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 135070431
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 11730345
(6R)-6-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 15391599

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate?
The IUPAC name of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate (CID 123812780) is tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate is CC(C)(C)OC(=O)NC(=O)CCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate?
The InChIKey is BBNQVQGLXDRBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O6Si/c1-30(2,3)39-28(36)33-24(17-16-22-27(35)34-29(37)40-31(4,5)6)23-38-41(32(7,8)9,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h10-15,18-21,24H,16-17,22-23H2,1-9H3,(H,33,36)(H,34,35,37).
What are the key properties of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate?
tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate has a molecular weight of 584.83 g/mol, XLogP of 5.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate is sourced from PubChem (CID 123812780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).