heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane

C43H94O6Si2 — CID 161331020

IUPACheptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
SMILESCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.CCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C23H50O3Si.C20H44O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(24-6-2,25-7-3)26-8-4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21-2,22-3)23-4/h5-23H2,1-4H3;5-20H2,1-4H3
InChIKeyVLKMBIFHQCWXRM-UHFFFAOYSA-N
MW763.39 g/mol
LogP14.64
Rot. Bonds41

About heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane

heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane (PubChem CID 161331020) has the molecular formula C43H94O6Si2 and a molecular weight of 763.39 g/mol. Its IUPAC name is heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane.

Molecular Properties

Compound Nameheptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
PubChem CID161331020
Molecular FormulaC43H94O6Si2
Molecular Weight763.39 g/mol
Exact Mass762.66
IUPAC Nameheptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
SMILESCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.CCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C23H50O3Si.C20H44O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(24-6-2,25-7-3)26-8-4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21-2,22-3)23-4/h5-23H2,1-4H3;5-20H2,1-4H3
InChIKeyVLKMBIFHQCWXRM-UHFFFAOYSA-N
XLogP14.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds41
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.39
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-diethoxy-methoxysilane
CID 141483107
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559
dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane
CID 167572282
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
dodecyl(trimethoxy)silane;octane
CID 174570785
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206

Frequently Asked Questions

What is the IUPAC name of heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane?
The IUPAC name of heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane (CID 161331020) is heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane.
What is the SMILES notation for heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane?
The canonical SMILES for heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane is CCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.CCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane?
The InChIKey is VLKMBIFHQCWXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O3Si.C20H44O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(24-6-2,25-7-3)26-8-4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21-2,22-3)23-4/h5-23H2,1-4H3;5-20H2,1-4H3.
What are the key properties of heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane?
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane has a molecular weight of 763.39 g/mol, XLogP of 14.64, 41 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane is sourced from PubChem (CID 161331020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).