tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate

C22H41NO2Si — CID 134922955

IUPACtert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
SMILESCC(C)[Si](C#CN(C(=O)OC(C)(C)C)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C22H41NO2Si/c1-17(2)26(18(3)4,19(5)6)16-15-23(20-13-11-10-12-14-20)21(24)25-22(7,8)9/h17-20H,10-14H2,1-9H3
InChIKeyYLLUSAUSCDOBFM-UHFFFAOYSA-N
MW379.66 g/mol
LogP6.74
Rot. Bonds4

About tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate

tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate (PubChem CID 134922955) has the molecular formula C22H41NO2Si and a molecular weight of 379.66 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
PubChem CID134922955
Molecular FormulaC22H41NO2Si
Molecular Weight379.66 g/mol
Exact Mass379.29
IUPAC Nametert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
SMILESCC(C)[Si](C#CN(C(=O)OC(C)(C)C)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C22H41NO2Si/c1-17(2)26(18(3)4,19(5)6)16-15-23(20-13-11-10-12-14-20)21(24)25-22(7,8)9/h17-20H,10-14H2,1-9H3
InChIKeyYLLUSAUSCDOBFM-UHFFFAOYSA-N
XLogP6.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.66
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
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tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
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tert-butyl N-cyclohexyl-N-[(E)-3-oxoprop-1-enyl]carbamate
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tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
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tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 139937632
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate (CID 134922955) is tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate is CC(C)[Si](C#CN(C(=O)OC(C)(C)C)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
The InChIKey is YLLUSAUSCDOBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2Si/c1-17(2)26(18(3)4,19(5)6)16-15-23(20-13-11-10-12-14-20)21(24)25-22(7,8)9/h17-20H,10-14H2,1-9H3.
What are the key properties of tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate has a molecular weight of 379.66 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate is sourced from PubChem (CID 134922955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).