28-chlorooctacosyl(triethoxy)silane

C34H71ClO3Si — CID 87685970

IUPAC28-chlorooctacosyl(triethoxy)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)(OCC)OCC
InChIInChI=1S/C34H71ClO3Si/c1-4-36-39(37-5-2,38-6-3)34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h4-34H2,1-3H3
InChIKeyZWMFGSBPCVTYDS-UHFFFAOYSA-N
MW591.48 g/mol
LogP12.42
Rot. Bonds34

About 28-chlorooctacosyl(triethoxy)silane

28-chlorooctacosyl(triethoxy)silane (PubChem CID 87685970) has the molecular formula C34H71ClO3Si and a molecular weight of 591.48 g/mol. Its IUPAC name is 28-chlorooctacosyl(triethoxy)silane.

Molecular Properties

Compound Name28-chlorooctacosyl(triethoxy)silane
PubChem CID87685970
Molecular FormulaC34H71ClO3Si
Molecular Weight591.48 g/mol
Exact Mass590.49
IUPAC Name28-chlorooctacosyl(triethoxy)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)(OCC)OCC
InChIInChI=1S/C34H71ClO3Si/c1-4-36-39(37-5-2,38-6-3)34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h4-34H2,1-3H3
InChIKeyZWMFGSBPCVTYDS-UHFFFAOYSA-N
XLogP12.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.48
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
5-chloropentyl-ethoxy-dimethylsilane
CID 140723464
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
silane;triethoxy(tetradecyl)silane
CID 161365398
tributoxy(4-chlorobutyl)silane
CID 141455005
28-chlorooctacosyl(trimethoxy)silane
CID 87680981
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
37-triethoxysilylheptatriacontan-1-ol
CID 87684596

Frequently Asked Questions

What is the IUPAC name of 28-chlorooctacosyl(triethoxy)silane?
The IUPAC name of 28-chlorooctacosyl(triethoxy)silane (CID 87685970) is 28-chlorooctacosyl(triethoxy)silane.
What is the SMILES notation for 28-chlorooctacosyl(triethoxy)silane?
The canonical SMILES for 28-chlorooctacosyl(triethoxy)silane is CCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)(OCC)OCC.
What is the InChIKey of 28-chlorooctacosyl(triethoxy)silane?
The InChIKey is ZWMFGSBPCVTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71ClO3Si/c1-4-36-39(37-5-2,38-6-3)34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h4-34H2,1-3H3.
What are the key properties of 28-chlorooctacosyl(triethoxy)silane?
28-chlorooctacosyl(triethoxy)silane has a molecular weight of 591.48 g/mol, XLogP of 12.42, 34 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 28-chlorooctacosyl(triethoxy)silane is sourced from PubChem (CID 87685970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).