28-chlorooctacosyl(trimethoxy)silane

C31H65ClO3Si — CID 87680981

IUPAC28-chlorooctacosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)(OC)OC
InChIInChI=1S/C31H65ClO3Si/c1-33-36(34-2,35-3)31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h4-31H2,1-3H3
InChIKeyXJUYTEBTTGKMIV-UHFFFAOYSA-N
MW549.40 g/mol
LogP11.25
Rot. Bonds31

About 28-chlorooctacosyl(trimethoxy)silane

28-chlorooctacosyl(trimethoxy)silane (PubChem CID 87680981) has the molecular formula C31H65ClO3Si and a molecular weight of 549.40 g/mol. Its IUPAC name is 28-chlorooctacosyl(trimethoxy)silane.

Molecular Properties

Compound Name28-chlorooctacosyl(trimethoxy)silane
PubChem CID87680981
Molecular FormulaC31H65ClO3Si
Molecular Weight549.40 g/mol
Exact Mass548.44
IUPAC Name28-chlorooctacosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)(OC)OC
InChIInChI=1S/C31H65ClO3Si/c1-33-36(34-2,35-3)31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h4-31H2,1-3H3
InChIKeyXJUYTEBTTGKMIV-UHFFFAOYSA-N
XLogP11.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.40
LogP ≤ 511.25
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

trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
CID 22948327
CID 22948327
1-chlorodecane;3-trimethoxysilylpropan-1-amine
CID 18362097
chloromethoxy-(3-chloropropyl)-dimethoxysilane
CID 154396099
aziridine;3-chloropropyl(trimethoxy)silane
CID 121233192
28-chlorooctacosyl(triethoxy)silane
CID 87685970
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
33-trimethoxysilyltritriacontan-1-amine
CID 87686996

Frequently Asked Questions

What is the IUPAC name of 28-chlorooctacosyl(trimethoxy)silane?
The IUPAC name of 28-chlorooctacosyl(trimethoxy)silane (CID 87680981) is 28-chlorooctacosyl(trimethoxy)silane.
What is the SMILES notation for 28-chlorooctacosyl(trimethoxy)silane?
The canonical SMILES for 28-chlorooctacosyl(trimethoxy)silane is CO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCl)(OC)OC.
What is the InChIKey of 28-chlorooctacosyl(trimethoxy)silane?
The InChIKey is XJUYTEBTTGKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65ClO3Si/c1-33-36(34-2,35-3)31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h4-31H2,1-3H3.
What are the key properties of 28-chlorooctacosyl(trimethoxy)silane?
28-chlorooctacosyl(trimethoxy)silane has a molecular weight of 549.40 g/mol, XLogP of 11.25, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 28-chlorooctacosyl(trimethoxy)silane is sourced from PubChem (CID 87680981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).