tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate

C20H38N2O4Si — CID 140646307

IUPACtris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OC(=O)N=NC(=O)OC1CCCCC1
InChIInChI=1S/C20H38N2O4Si/c1-15(2)12-27(13-16(3)4,14-17(5)6)26-20(24)22-21-19(23)25-18-10-8-7-9-11-18/h15-18H,7-14H2,1-6H3
InChIKeyZSGJQQOETNCVOL-UHFFFAOYSA-N
MW398.62 g/mol
LogP6.96
Rot. Bonds8

About tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate

tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate (PubChem CID 140646307) has the molecular formula C20H38N2O4Si and a molecular weight of 398.62 g/mol. Its IUPAC name is tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate.

Molecular Properties

Compound Nametris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate
PubChem CID140646307
Molecular FormulaC20H38N2O4Si
Molecular Weight398.62 g/mol
Exact Mass398.26
IUPAC Nametris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OC(=O)N=NC(=O)OC1CCCCC1
InChIInChI=1S/C20H38N2O4Si/c1-15(2)12-27(13-16(3)4,14-17(5)6)26-20(24)22-21-19(23)25-18-10-8-7-9-11-18/h15-18H,7-14H2,1-6H3
InChIKeyZSGJQQOETNCVOL-UHFFFAOYSA-N
XLogP6.96
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.62
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646285
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
cycloheptadecyl acetate
CID 57215828
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl 3-chlorobutanoate
CID 19736706
cyclohexyl N-ethylidenecarbamate
CID 56637848
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
cyclohexyl 3-cyclohexylbutanoate
CID 129263985
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
cyclohexyl propanoate;dihydrochloride
CID 172803130

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate?
The IUPAC name of tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate (CID 140646307) is tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate.
What is the SMILES notation for tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate?
The canonical SMILES for tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate is CC(C)C[Si](CC(C)C)(CC(C)C)OC(=O)N=NC(=O)OC1CCCCC1.
What is the InChIKey of tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate?
The InChIKey is ZSGJQQOETNCVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4Si/c1-15(2)12-27(13-16(3)4,14-17(5)6)26-20(24)22-21-19(23)25-18-10-8-7-9-11-18/h15-18H,7-14H2,1-6H3.
What are the key properties of tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate?
tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate has a molecular weight of 398.62 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate is sourced from PubChem (CID 140646307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).