2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate

C17H38N2O9Si2 — CID 174034551

IUPAC2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
SMILESCC[Si](CCCNC(=O)OCCOC(=O)NCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H38N2O9Si2/c1-7-29(22-2,23-3)14-8-10-18-16(20)27-12-13-28-17(21)19-11-9-15-30(24-4,25-5)26-6/h7-15H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyOOOSHGNOJZREQN-UHFFFAOYSA-N
MW470.67 g/mol
LogP1.85
Rot. Bonds17

About 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate

2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate (PubChem CID 174034551) has the molecular formula C17H38N2O9Si2 and a molecular weight of 470.67 g/mol. Its IUPAC name is 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate.

Molecular Properties

Compound Name2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
PubChem CID174034551
Molecular FormulaC17H38N2O9Si2
Molecular Weight470.67 g/mol
Exact Mass470.21
IUPAC Name2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
SMILESCC[Si](CCCNC(=O)OCCOC(=O)NCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H38N2O9Si2/c1-7-29(22-2,23-3)14-8-10-18-16(20)27-12-13-28-17(21)19-11-9-15-30(24-4,25-5)26-6/h7-15H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyOOOSHGNOJZREQN-UHFFFAOYSA-N
XLogP1.85
TPSA122.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.67
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 22065770
[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034547
ethyl N-[4-[ethyl(dimethoxy)silyl]butyl]carbamate
CID 22065746
N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
CID 174034549
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 59824458
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
The IUPAC name of 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate (CID 174034551) is 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate.
What is the SMILES notation for 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
The canonical SMILES for 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate is CC[Si](CCCNC(=O)OCCOC(=O)NCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
The InChIKey is OOOSHGNOJZREQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O9Si2/c1-7-29(22-2,23-3)14-8-10-18-16(20)27-12-13-28-17(21)19-11-9-15-30(24-4,25-5)26-6/h7-15H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate has a molecular weight of 470.67 g/mol, XLogP of 1.85, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate is sourced from PubChem (CID 174034551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).