tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate

C16H32N2O4Si — CID 140646377

IUPACtri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
SMILESCCCCCOC(=O)N=NC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32N2O4Si/c1-8-9-10-11-21-15(19)17-18-16(20)22-23(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyZKVSWUPLBJGMKU-UHFFFAOYSA-N
MW344.53 g/mol
LogP6.08
Rot. Bonds8

About tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate

tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate (PubChem CID 140646377) has the molecular formula C16H32N2O4Si and a molecular weight of 344.53 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
PubChem CID140646377
Molecular FormulaC16H32N2O4Si
Molecular Weight344.53 g/mol
Exact Mass344.21
IUPAC Nametri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
SMILESCCCCCOC(=O)N=NC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32N2O4Si/c1-8-9-10-11-21-15(19)17-18-16(20)22-23(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyZKVSWUPLBJGMKU-UHFFFAOYSA-N
XLogP6.08
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.53
LogP ≤ 56.08
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
nonyl tri(propan-2-yl)silyl carbonate
CID 155712658
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate
CID 140646289
hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
octoxycarbonyliminocarbamic acid
CID 90272761
tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate
CID 140646275
heptyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646322
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
[dimethyl(propan-2-yl)silyl] octyl carbonate
CID 155712707
hexadecyl N-diazocarbamate
CID 13247383
octadecyl N-(octadecoxycarbonylimino-λ4-sulfanylidene)carbamate
CID 19777044

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate?
The IUPAC name of tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate (CID 140646377) is tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate is CCCCCOC(=O)N=NC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate?
The InChIKey is ZKVSWUPLBJGMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4Si/c1-8-9-10-11-21-15(19)17-18-16(20)22-23(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3.
What are the key properties of tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate?
tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate has a molecular weight of 344.53 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate is sourced from PubChem (CID 140646377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).