methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate

C14H37NO14Si4 — CID 22065649

IUPACmethyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
SMILESCOC(=O)NCCC[Si](O[Si](OC)(OC)OC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC
InChIInChI=1S/C14H37NO14Si4/c1-17-14(16)15-12-11-13-30(27-31(18-2,19-3)20-4,28-32(21-5,22-6)23-7)29-33(24-8,25-9)26-10/h11-13H2,1-10H3,(H,15,16)
InChIKeyFRJIKMUIHYHIHC-UHFFFAOYSA-N
MW555.79 g/mol
LogP-0.15
Rot. Bonds19

About methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate

methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate (PubChem CID 22065649) has the molecular formula C14H37NO14Si4 and a molecular weight of 555.79 g/mol. Its IUPAC name is methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
PubChem CID22065649
Molecular FormulaC14H37NO14Si4
Molecular Weight555.79 g/mol
Exact Mass555.13
IUPAC Namemethyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
SMILESCOC(=O)NCCC[Si](O[Si](OC)(OC)OC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC
InChIInChI=1S/C14H37NO14Si4/c1-17-14(16)15-12-11-13-30(27-31(18-2,19-3)20-4,28-32(21-5,22-6)23-7)29-33(24-8,25-9)26-10/h11-13H2,1-10H3,(H,15,16)
InChIKeyFRJIKMUIHYHIHC-UHFFFAOYSA-N
XLogP-0.15
TPSA149.09 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.79
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 22065770
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
methyl N-(2-fluoroethyl)carbamate
CID 14512865
ethyl N,N-bis[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
CID 167678976
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate?
The IUPAC name of methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate (CID 22065649) is methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate.
What is the SMILES notation for methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate?
The canonical SMILES for methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate is COC(=O)NCCC[Si](O[Si](OC)(OC)OC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC.
What is the InChIKey of methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate?
The InChIKey is FRJIKMUIHYHIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H37NO14Si4/c1-17-14(16)15-12-11-13-30(27-31(18-2,19-3)20-4,28-32(21-5,22-6)23-7)29-33(24-8,25-9)26-10/h11-13H2,1-10H3,(H,15,16).
What are the key properties of methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate?
methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate has a molecular weight of 555.79 g/mol, XLogP of -0.15, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-tris(trimethoxysilyloxy)silylpropyl]carbamate is sourced from PubChem (CID 22065649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).