1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol

C13H32O8Si2 — CID 87858677

IUPAC1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol
SMILESCCO[Si](OCC)(OCC)C(O)CC(C)(O)[Si](OC)(OC)OC
InChIInChI=1S/C13H32O8Si2/c1-8-19-22(20-9-2,21-10-3)12(14)11-13(4,15)23(16-5,17-6)18-7/h12,14-15H,8-11H2,1-7H3
InChIKeyRPNXPUCFUOYPMC-UHFFFAOYSA-N
MW372.56 g/mol
LogP0.49
Rot. Bonds13

About 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol

1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol (PubChem CID 87858677) has the molecular formula C13H32O8Si2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol.

Molecular Properties

Compound Name1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol
PubChem CID87858677
Molecular FormulaC13H32O8Si2
Molecular Weight372.56 g/mol
Exact Mass372.16
IUPAC Name1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol
SMILESCCO[Si](OCC)(OCC)C(O)CC(C)(O)[Si](OC)(OC)OC
InChIInChI=1S/C13H32O8Si2/c1-8-19-22(20-9-2,21-10-3)12(14)11-13(4,15)23(16-5,17-6)18-7/h12,14-15H,8-11H2,1-7H3
InChIKeyRPNXPUCFUOYPMC-UHFFFAOYSA-N
XLogP0.49
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
3,3-bis(triethoxysilyl)propane-1-thiol
CID 91095961
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
CID 141086045
(ethoxy-methoxy-propylsilyl)methanediol
CID 18327161
O-methyl 2-triethoxysilylpropanethioate
CID 141147284
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555
2-methyl-2-trimethoxysilylpentan-3-amine
CID 87850746
silane;triethoxy(1-methoxypropyl)silane
CID 175591371
azane;1-[diethoxy(methyl)silyl]propan-1-ol
CID 174815593
tert-butyl-dimethoxy-propoxysilane
CID 139714542

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol?
The IUPAC name of 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol (CID 87858677) is 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol.
What is the SMILES notation for 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol?
The canonical SMILES for 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol is CCO[Si](OCC)(OCC)C(O)CC(C)(O)[Si](OC)(OC)OC.
What is the InChIKey of 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol?
The InChIKey is RPNXPUCFUOYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O8Si2/c1-8-19-22(20-9-2,21-10-3)12(14)11-13(4,15)23(16-5,17-6)18-7/h12,14-15H,8-11H2,1-7H3.
What are the key properties of 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol?
1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol has a molecular weight of 372.56 g/mol, XLogP of 0.49, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilyl-3-trimethoxysilylbutane-1,3-diol is sourced from PubChem (CID 87858677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).