[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate

C30H64N2O10Si2 — CID 54112188

IUPAC[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate
SMILESCCO[Si](CCCC(CCCCCCCCCOC(N)=O)(CCC[Si](OCC)(OCC)OCC)OC(N)=O)(OCC)OCC
InChIInChI=1S/C30H64N2O10Si2/c1-7-36-43(37-8-2,38-9-3)26-20-23-30(42-29(32)34,22-18-16-14-13-15-17-19-25-35-28(31)33)24-21-27-44(39-10-4,40-11-5)41-12-6/h7-27H2,1-6H3,(H2,31,33)(H2,32,34)
InChIKeyNHWXKPQRWCOVLD-UHFFFAOYSA-N
MW669.02 g/mol
LogP6.69
Rot. Bonds31

About [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate

[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate (PubChem CID 54112188) has the molecular formula C30H64N2O10Si2 and a molecular weight of 669.02 g/mol. Its IUPAC name is [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate.

Molecular Properties

Compound Name[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate
PubChem CID54112188
Molecular FormulaC30H64N2O10Si2
Molecular Weight669.02 g/mol
Exact Mass668.41
IUPAC Name[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate
SMILESCCO[Si](CCCC(CCCCCCCCCOC(N)=O)(CCC[Si](OCC)(OCC)OCC)OC(N)=O)(OCC)OCC
InChIInChI=1S/C30H64N2O10Si2/c1-7-36-43(37-8-2,38-9-3)26-20-23-30(42-29(32)34,22-18-16-14-13-15-17-19-25-35-28(31)33)24-21-27-44(39-10-4,40-11-5)41-12-6/h7-27H2,1-6H3,(H2,31,33)(H2,32,34)
InChIKeyNHWXKPQRWCOVLD-UHFFFAOYSA-N
XLogP6.69
TPSA160.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.02
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(6-carbamoyloxy-6-triacontylhexatriacontyl) carbamate
CID 123442125
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
4-triethoxysilylbutyl propanoate
CID 141347796
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
(2-methyl-5-triethoxysilylpentan-2-yl)urea
CID 87282445
9-carbamoyloxynonyl carbamate
CID 87883969
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
octacosyl carbamate
CID 160925840
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
11-(3-triethoxysilylpropylsulfanyl)undecyl 2-bromo-2-methylpropanoate
CID 123688738

Frequently Asked Questions

What is the IUPAC name of [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate?
The IUPAC name of [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate (CID 54112188) is [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate.
What is the SMILES notation for [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate?
The canonical SMILES for [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate is CCO[Si](CCCC(CCCCCCCCCOC(N)=O)(CCC[Si](OCC)(OCC)OCC)OC(N)=O)(OCC)OCC.
What is the InChIKey of [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate?
The InChIKey is NHWXKPQRWCOVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N2O10Si2/c1-7-36-43(37-8-2,38-9-3)26-20-23-30(42-29(32)34,22-18-16-14-13-15-17-19-25-35-28(31)33)24-21-27-44(39-10-4,40-11-5)41-12-6/h7-27H2,1-6H3,(H2,31,33)(H2,32,34).
What are the key properties of [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate?
[10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate has a molecular weight of 669.02 g/mol, XLogP of 6.69, 31 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [10-carbamoyloxy-13-triethoxysilyl-10-(3-triethoxysilylpropyl)tridecyl] carbamate is sourced from PubChem (CID 54112188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).