1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C37H86O20Si3 — CID 159937574

IUPAC1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCCOCC(O)COCCC[Si](OC)(OC)OC.COCCO.COCCOC(CO)COCCC[Si](OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C13H30O6Si.C12H28O7Si.C9H20O5Si.C3H8O2/c1-5-6-8-18-11-13(14)12-19-9-7-10-20(15-2,16-3)17-4;1-14-7-8-19-12(10-13)11-18-6-5-9-20(15-2,16-3)17-4;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-5-3-2-4/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;9H,4-8H2,1-3H3;4H,2-3H2,1H3
InChIKeyOALKVHANCMKYIC-UHFFFAOYSA-N
MW935.33 g/mol
LogP2.04
Rot. Bonds39

About 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 159937574) has the molecular formula C37H86O20Si3 and a molecular weight of 935.33 g/mol. Its IUPAC name is 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Name1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID159937574
Molecular FormulaC37H86O20Si3
Molecular Weight935.33 g/mol
Exact Mass934.50
IUPAC Name1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCCOCC(O)COCCC[Si](OC)(OC)OC.COCCO.COCCOC(CO)COCCC[Si](OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C13H30O6Si.C12H28O7Si.C9H20O5Si.C3H8O2/c1-5-6-8-18-11-13(14)12-19-9-7-10-20(15-2,16-3)17-4;1-14-7-8-19-12(10-13)11-18-6-5-9-20(15-2,16-3)17-4;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-5-3-2-4/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;9H,4-8H2,1-3H3;4H,2-3H2,1H3
InChIKeyOALKVHANCMKYIC-UHFFFAOYSA-N
XLogP2.04
TPSA220.90 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.33
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane with MolForge

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Related Compounds

2-[2-hydroxyethoxy-methoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87722976
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 90896720
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
2-(octadecoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 19926009
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 169273482
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
2-[[(Z)-octadec-9-enoxy]methyl]oxirane;1-[(Z)-octadec-9-enoxy]-3-octoxypropan-2-ol
CID 158034991
1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
CID 175354226
oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 159937574) is 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is CCCCOCC(O)COCCC[Si](OC)(OC)OC.COCCO.COCCOC(CO)COCCC[Si](OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC.
What is the InChIKey of 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is OALKVHANCMKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O6Si.C12H28O7Si.C9H20O5Si.C3H8O2/c1-5-6-8-18-11-13(14)12-19-9-7-10-20(15-2,16-3)17-4;1-14-7-8-19-12(10-13)11-18-6-5-9-20(15-2,16-3)17-4;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-5-3-2-4/h13-14H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;9H,4-8H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 935.33 g/mol, XLogP of 2.04, 39 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 159937574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).