[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate

C23H48N2O9Si2 — CID 174034547

IUPAC[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
SMILESCC[Si](CCCNC(=O)OCC1CCC(COC(=O)NCCC[Si](OC)(OC)OC)CC1)(OC)OC
InChIInChI=1S/C23H48N2O9Si2/c1-7-35(28-2,29-3)16-8-14-24-22(26)33-18-20-10-12-21(13-11-20)19-34-23(27)25-15-9-17-36(30-4,31-5)32-6/h20-21H,7-19H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyQZYHCSKTJKTXJU-UHFFFAOYSA-N
MW552.81 g/mol
LogP3.66
Rot. Bonds18

About [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate

[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate (PubChem CID 174034547) has the molecular formula C23H48N2O9Si2 and a molecular weight of 552.81 g/mol. Its IUPAC name is [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate.

Molecular Properties

Compound Name[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
PubChem CID174034547
Molecular FormulaC23H48N2O9Si2
Molecular Weight552.81 g/mol
Exact Mass552.29
IUPAC Name[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
SMILESCC[Si](CCCNC(=O)OCC1CCC(COC(=O)NCCC[Si](OC)(OC)OC)CC1)(OC)OC
InChIInChI=1S/C23H48N2O9Si2/c1-7-35(28-2,29-3)16-8-14-24-22(26)33-18-20-10-12-21(13-11-20)19-34-23(27)25-15-9-17-36(30-4,31-5)32-6/h20-21H,7-19H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyQZYHCSKTJKTXJU-UHFFFAOYSA-N
XLogP3.66
TPSA122.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.81
LogP ≤ 53.66
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

2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034551
methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 22065770
N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
CID 174034549
ethyl N-[4-[ethyl(dimethoxy)silyl]butyl]carbamate
CID 22065746
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
[4-[(octadecylamino)methylperoxymethyl]cyclohexyl]methyl N-octadecylcarbamate
CID 59887646
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
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
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
[4-[[(E)-prop-1-enoxy]methyl]cyclohexyl]methyl 8-[[4-[[(E)-prop-1-enoxy]methyl]cyclohexyl]methoxycarbonylamino]octanoate
CID 160761209
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564

Frequently Asked Questions

What is the IUPAC name of [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
The IUPAC name of [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate (CID 174034547) is [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate.
What is the SMILES notation for [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
The canonical SMILES for [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate is CC[Si](CCCNC(=O)OCC1CCC(COC(=O)NCCC[Si](OC)(OC)OC)CC1)(OC)OC.
What is the InChIKey of [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
The InChIKey is QZYHCSKTJKTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O9Si2/c1-7-35(28-2,29-3)16-8-14-24-22(26)33-18-20-10-12-21(13-11-20)19-34-23(27)25-15-9-17-36(30-4,31-5)32-6/h20-21H,7-19H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate?
[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate has a molecular weight of 552.81 g/mol, XLogP of 3.66, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate is sourced from PubChem (CID 174034547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).