tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate

C18H36N2O4Si — CID 140646289

IUPACtris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate
SMILESCCCCOC(=O)N=NC(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H36N2O4Si/c1-8-9-10-23-17(21)19-20-18(22)24-25(11-14(2)3,12-15(4)5)13-16(6)7/h14-16H,8-13H2,1-7H3
InChIKeyVYSUYWRLYJFCNC-UHFFFAOYSA-N
MW372.58 g/mol
LogP6.43
Rot. Bonds10

About tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate

tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate (PubChem CID 140646289) has the molecular formula C18H36N2O4Si and a molecular weight of 372.58 g/mol. Its IUPAC name is tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate.

Molecular Properties

Compound Nametris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate
PubChem CID140646289
Molecular FormulaC18H36N2O4Si
Molecular Weight372.58 g/mol
Exact Mass372.24
IUPAC Nametris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate
SMILESCCCCOC(=O)N=NC(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H36N2O4Si/c1-8-9-10-23-17(21)19-20-18(22)24-25(11-14(2)3,12-15(4)5)13-16(6)7/h14-16H,8-13H2,1-7H3
InChIKeyVYSUYWRLYJFCNC-UHFFFAOYSA-N
XLogP6.43
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate
CID 140646359
tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
CID 140646377
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
octoxycarbonyliminocarbamic acid
CID 90272761
butyl (NZ)-N-(1-aminoethylidene)carbamate
CID 59984960
tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate
CID 140646275
butyl 2-trimethylsilyloxypropanoate
CID 88549339
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
butyl acetate;2-methylpropan-1-ol
CID 118093159
nonyl 3-methylbutanoate
CID 5463914

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate?
The IUPAC name of tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate (CID 140646289) is tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate.
What is the SMILES notation for tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate?
The canonical SMILES for tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate is CCCCOC(=O)N=NC(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate?
The InChIKey is VYSUYWRLYJFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4Si/c1-8-9-10-23-17(21)19-20-18(22)24-25(11-14(2)3,12-15(4)5)13-16(6)7/h14-16H,8-13H2,1-7H3.
What are the key properties of tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate?
tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate has a molecular weight of 372.58 g/mol, XLogP of 6.43, 10 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-butoxycarbonyliminocarbamate is sourced from PubChem (CID 140646289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).