1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea

C68H163N5O36Si10 — CID 158945608

IUPAC1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea
SMILESCO[Si](CCCN=C=O)(OC)OC.CO[Si](CCCNC(=O)N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCOCC(O)CN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C21H51NO11Si3.C19H46N2O10Si3.C12H31NO6Si2.C9H20O5Si.C7H15NO4Si/c1-24-34(25-2,26-3)16-10-13-22(14-11-17-35(27-4,28-5)29-6)19-21(23)20-33-15-12-18-36(30-7,31-8)32-9;1-23-32(24-2,25-3)16-10-13-20-19(22)21(14-11-17-33(26-4,27-5)28-6)15-12-18-34(29-7,30-8)31-9;1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-10-13(11-2,12-3)6-4-5-8-7-9/h21,23H,10-20H2,1-9H3;10-18H2,1-9H3,(H,20,22);13H,7-12H2,1-6H3;9H,4-8H2,1-3H3;4-6H2,1-3H3
InChIKeyJKUBJDAQSUWYFD-UHFFFAOYSA-N
MW1907.91 g/mol
LogP5.65
Rot. Bonds76

About 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea

1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea (PubChem CID 158945608) has the molecular formula C68H163N5O36Si10 and a molecular weight of 1907.91 g/mol. Its IUPAC name is 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea
PubChem CID158945608
Molecular FormulaC68H163N5O36Si10
Molecular Weight1907.91 g/mol
Exact Mass1905.88
IUPAC Name1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea
SMILESCO[Si](CCCN=C=O)(OC)OC.CO[Si](CCCNC(=O)N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCOCC(O)CN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C21H51NO11Si3.C19H46N2O10Si3.C12H31NO6Si2.C9H20O5Si.C7H15NO4Si/c1-24-34(25-2,26-3)16-10-13-22(14-11-17-35(27-4,28-5)29-6)19-21(23)20-33-15-12-18-36(30-7,31-8)32-9;1-23-32(24-2,25-3)16-10-13-20-19(22)21(14-11-17-33(26-4,27-5)28-6)15-12-18-34(29-7,30-8)31-9;1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-10-13(11-2,12-3)6-4-5-8-7-9/h21,23H,10-20H2,1-9H3;10-18H2,1-9H3,(H,20,22);13H,7-12H2,1-6H3;9H,4-8H2,1-3H3;4-6H2,1-3H3
InChIKeyJKUBJDAQSUWYFD-UHFFFAOYSA-N
XLogP5.65
TPSA405.16 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds76
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.91
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea?
The IUPAC name of 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea (CID 158945608) is 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea.
What is the SMILES notation for 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea?
The canonical SMILES for 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea is CO[Si](CCCN=C=O)(OC)OC.CO[Si](CCCNC(=O)N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCOCC(O)CN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC.
What is the InChIKey of 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea?
The InChIKey is JKUBJDAQSUWYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H51NO11Si3.C19H46N2O10Si3.C12H31NO6Si2.C9H20O5Si.C7H15NO4Si/c1-24-34(25-2,26-3)16-10-13-22(14-11-17-35(27-4,28-5)29-6)19-21(23)20-33-15-12-18-36(30-7,31-8)32-9;1-23-32(24-2,25-3)16-10-13-20-19(22)21(14-11-17-33(26-4,27-5)28-6)15-12-18-34(29-7,30-8)31-9;1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-10-13(11-2,12-3)6-4-5-8-7-9/h21,23H,10-20H2,1-9H3;10-18H2,1-9H3,(H,20,22);13H,7-12H2,1-6H3;9H,4-8H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea?
1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea has a molecular weight of 1907.91 g/mol, XLogP of 5.65, 76 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-trimethoxysilylpropyl)amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;3-isocyanatopropyl(trimethoxy)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;1,1,3-tris(3-trimethoxysilylpropyl)urea is sourced from PubChem (CID 158945608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).