18-bromooctadecyl(triethoxy)silane

C24H51BrO3Si — CID 87686820

IUPAC18-bromooctadecyl(triethoxy)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCBr)(OCC)OCC
InChIInChI=1S/C24H51BrO3Si/c1-4-26-29(27-5-2,28-6-3)24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h4-24H2,1-3H3
InChIKeyMKUSHLYNHFPKND-UHFFFAOYSA-N
MW495.66 g/mol
LogP8.67
Rot. Bonds24

About 18-bromooctadecyl(triethoxy)silane

18-bromooctadecyl(triethoxy)silane (PubChem CID 87686820) has the molecular formula C24H51BrO3Si and a molecular weight of 495.66 g/mol. Its IUPAC name is 18-bromooctadecyl(triethoxy)silane.

Molecular Properties

Compound Name18-bromooctadecyl(triethoxy)silane
PubChem CID87686820
Molecular FormulaC24H51BrO3Si
Molecular Weight495.66 g/mol
Exact Mass494.28
IUPAC Name18-bromooctadecyl(triethoxy)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCBr)(OCC)OCC
InChIInChI=1S/C24H51BrO3Si/c1-4-26-29(27-5-2,28-6-3)24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h4-24H2,1-3H3
InChIKeyMKUSHLYNHFPKND-UHFFFAOYSA-N
XLogP8.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.66
LogP ≤ 58.67
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
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
25-bromopentacosyl(trimethoxy)silane
CID 87680868
22-bromodocosyl(trimethoxy)silane
CID 87682578
20-triethoxysilylicosane-1-thiol
CID 87684173
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
triethoxy(14-iodotetradecyl)silane
CID 87686143

Frequently Asked Questions

What is the IUPAC name of 18-bromooctadecyl(triethoxy)silane?
The IUPAC name of 18-bromooctadecyl(triethoxy)silane (CID 87686820) is 18-bromooctadecyl(triethoxy)silane.
What is the SMILES notation for 18-bromooctadecyl(triethoxy)silane?
The canonical SMILES for 18-bromooctadecyl(triethoxy)silane is CCO[Si](CCCCCCCCCCCCCCCCCCBr)(OCC)OCC.
What is the InChIKey of 18-bromooctadecyl(triethoxy)silane?
The InChIKey is MKUSHLYNHFPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51BrO3Si/c1-4-26-29(27-5-2,28-6-3)24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h4-24H2,1-3H3.
What are the key properties of 18-bromooctadecyl(triethoxy)silane?
18-bromooctadecyl(triethoxy)silane has a molecular weight of 495.66 g/mol, XLogP of 8.67, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-bromooctadecyl(triethoxy)silane is sourced from PubChem (CID 87686820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).