ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)

C33H94N4O13Si4 — CID 167608447

IUPACethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)
SMILESC.C.C.CCO.CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCN)(OCC)OCC.CCO[Si](O)(O)CCCN.CCO[Si](O)(O)CCCN
InChIInChI=1S/2C9H23NO3Si.2C5H15NO3Si.C2H6O.3CH4/c2*1-4-11-14(12-5-2,13-6-3)9-7-8-10;2*1-2-9-10(7,8)5-3-4-6;1-2-3;;;/h2*4-10H2,1-3H3;2*7-8H,2-6H2,1H3;3H,2H2,1H3;3*1H4
InChIKeyKSAAWIJDCVSWAC-UHFFFAOYSA-N
MW867.47 g/mol
LogP3.26
Rot. Bonds28

About ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)

ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine) (PubChem CID 167608447) has the molecular formula C33H94N4O13Si4 and a molecular weight of 867.47 g/mol. Its IUPAC name is ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine).

Molecular Properties

Compound Nameethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)
PubChem CID167608447
Molecular FormulaC33H94N4O13Si4
Molecular Weight867.47 g/mol
Exact Mass866.59
IUPAC Nameethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)
SMILESC.C.C.CCO.CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCN)(OCC)OCC.CCO[Si](O)(O)CCCN.CCO[Si](O)(O)CCCN
InChIInChI=1S/2C9H23NO3Si.2C5H15NO3Si.C2H6O.3CH4/c2*1-4-11-14(12-5-2,13-6-3)9-7-8-10;2*1-2-9-10(7,8)5-3-4-6;1-2-3;;;/h2*4-10H2,1-3H3;2*7-8H,2-6H2,1H3;3H,2H2,1H3;3*1H4
InChIKeyKSAAWIJDCVSWAC-UHFFFAOYSA-N
XLogP3.26
TPSA279.07 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.47
LogP ≤ 53.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
hydroxy(methyl)silane;3-triethoxysilylpropan-1-amine;bis(3-trimethylsilylpropan-1-amine)
CID 159301197
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
ethoxy-[2-[ethoxy(dihydroxy)silyl]ethyl]-dihydroxysilane
CID 87194100
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615

Frequently Asked Questions

What is the IUPAC name of ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)?
The IUPAC name of ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine) (CID 167608447) is ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine).
What is the SMILES notation for ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)?
The canonical SMILES for ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine) is C.C.C.CCO.CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCN)(OCC)OCC.CCO[Si](O)(O)CCCN.CCO[Si](O)(O)CCCN.
What is the InChIKey of ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)?
The InChIKey is KSAAWIJDCVSWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H23NO3Si.2C5H15NO3Si.C2H6O.3CH4/c2*1-4-11-14(12-5-2,13-6-3)9-7-8-10;2*1-2-9-10(7,8)5-3-4-6;1-2-3;;;/h2*4-10H2,1-3H3;2*7-8H,2-6H2,1H3;3H,2H2,1H3;3*1H4.
What are the key properties of ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)?
ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine) has a molecular weight of 867.47 g/mol, XLogP of 3.26, 28 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine) is sourced from PubChem (CID 167608447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).