[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate

C23H49NO11Si2 — CID 87800382

IUPAC[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate
SMILESC=CC(=O)OCC(O)CNCCC[Si](OCC)(OCC)OCC.CO[Si](CCCOC(C)=O)(OC)OC
InChIInChI=1S/C15H31NO6Si.C8H18O5Si/c1-5-15(18)19-13-14(17)12-16-10-9-11-23(20-6-2,21-7-3)22-8-4;1-8(9)13-6-5-7-14(10-2,11-3)12-4/h5,14,16-17H,1,6-13H2,2-4H3;5-7H2,1-4H3
InChIKeyIKAMAPBBRLASNE-UHFFFAOYSA-N
MW571.81 g/mol
LogP1.92
Rot. Bonds22

About [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate

[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate (PubChem CID 87800382) has the molecular formula C23H49NO11Si2 and a molecular weight of 571.81 g/mol. Its IUPAC name is [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate.

Molecular Properties

Compound Name[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate
PubChem CID87800382
Molecular FormulaC23H49NO11Si2
Molecular Weight571.81 g/mol
Exact Mass571.28
IUPAC Name[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate
SMILESC=CC(=O)OCC(O)CNCCC[Si](OCC)(OCC)OCC.CO[Si](CCCOC(C)=O)(OC)OC
InChIInChI=1S/C15H31NO6Si.C8H18O5Si/c1-5-15(18)19-13-14(17)12-16-10-9-11-23(20-6-2,21-7-3)22-8-4;1-8(9)13-6-5-7-14(10-2,11-3)12-4/h5,14,16-17H,1,6-13H2,2-4H3;5-7H2,1-4H3
InChIKeyIKAMAPBBRLASNE-UHFFFAOYSA-N
XLogP1.92
TPSA140.24 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate
CID 158810416
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
butan-2-yl prop-2-enoate;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-methylbutyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 69300299
N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate
CID 87852488
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate
CID 101498166
[3-prop-2-enoyloxy-2-(3-trimethoxysilylpropylcarbamoyloxy)propyl] prop-2-enoate
CID 59812257

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate?
The IUPAC name of [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate (CID 87800382) is [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate.
What is the SMILES notation for [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate?
The canonical SMILES for [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate is C=CC(=O)OCC(O)CNCCC[Si](OCC)(OCC)OCC.CO[Si](CCCOC(C)=O)(OC)OC.
What is the InChIKey of [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate?
The InChIKey is IKAMAPBBRLASNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO6Si.C8H18O5Si/c1-5-15(18)19-13-14(17)12-16-10-9-11-23(20-6-2,21-7-3)22-8-4;1-8(9)13-6-5-7-14(10-2,11-3)12-4/h5,14,16-17H,1,6-13H2,2-4H3;5-7H2,1-4H3.
What are the key properties of [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate?
[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate has a molecular weight of 571.81 g/mol, XLogP of 1.92, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate is sourced from PubChem (CID 87800382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).