tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate

C22H44N2O4Si — CID 140646359

IUPACtris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate
SMILESCCCCCCCCOC(=O)N=NC(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C22H44N2O4Si/c1-8-9-10-11-12-13-14-27-21(25)23-24-22(26)28-29(15-18(2)3,16-19(4)5)17-20(6)7/h18-20H,8-17H2,1-7H3
InChIKeyCFLNQFHYPKIEHZ-UHFFFAOYSA-N
MW428.69 g/mol
LogP7.99
Rot. Bonds14

About tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate

tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate (PubChem CID 140646359) has the molecular formula C22H44N2O4Si and a molecular weight of 428.69 g/mol. Its IUPAC name is tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate.

Molecular Properties

Compound Nametris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate
PubChem CID140646359
Molecular FormulaC22H44N2O4Si
Molecular Weight428.69 g/mol
Exact Mass428.31
IUPAC Nametris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate
SMILESCCCCCCCCOC(=O)N=NC(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C22H44N2O4Si/c1-8-9-10-11-12-13-14-27-21(25)23-24-22(26)28-29(15-18(2)3,16-19(4)5)17-20(6)7/h18-20H,8-17H2,1-7H3
InChIKeyCFLNQFHYPKIEHZ-UHFFFAOYSA-N
XLogP7.99
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 57.99
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-butoxycarbonyliminocarbamate
CID 140646289
tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
CID 140646377
hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
octoxycarbonyliminocarbamic acid
CID 90272761
nonyl 3-methylbutanoate
CID 5463914
heptyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646322
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
octadecyl N-(octadecoxycarbonylimino-λ4-sulfanylidene)carbamate
CID 19777044
(2-decoxy-2-oxoethyl)-dimethyl-propan-2-ylazanium
CID 144771316
nonyl tri(propan-2-yl)silyl carbonate
CID 155712658
octacosyl carbamate
CID 160925840

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate?
The IUPAC name of tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate (CID 140646359) is tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate.
What is the SMILES notation for tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate?
The canonical SMILES for tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate is CCCCCCCCOC(=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-octoxycarbonyliminocarbamate?
The InChIKey is CFLNQFHYPKIEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O4Si/c1-8-9-10-11-12-13-14-27-21(25)23-24-22(26)28-29(15-18(2)3,16-19(4)5)17-20(6)7/h18-20H,8-17H2,1-7H3.
What are the key properties of tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate?
tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate has a molecular weight of 428.69 g/mol, XLogP of 7.99, 14 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-octoxycarbonyliminocarbamate is sourced from PubChem (CID 140646359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).