25-bromopentacosyl(trimethoxy)silane

C28H59BrO3Si — CID 87680868

IUPAC25-bromopentacosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCBr)(OC)OC
InChIInChI=1S/C28H59BrO3Si/c1-30-33(31-2,32-3)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29/h4-28H2,1-3H3
InChIKeyOZMSPLXBEBKURC-UHFFFAOYSA-N
MW551.77 g/mol
LogP10.23
Rot. Bonds28

About 25-bromopentacosyl(trimethoxy)silane

25-bromopentacosyl(trimethoxy)silane (PubChem CID 87680868) has the molecular formula C28H59BrO3Si and a molecular weight of 551.77 g/mol. Its IUPAC name is 25-bromopentacosyl(trimethoxy)silane.

Molecular Properties

Compound Name25-bromopentacosyl(trimethoxy)silane
PubChem CID87680868
Molecular FormulaC28H59BrO3Si
Molecular Weight551.77 g/mol
Exact Mass550.34
IUPAC Name25-bromopentacosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCBr)(OC)OC
InChIInChI=1S/C28H59BrO3Si/c1-30-33(31-2,32-3)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29/h4-28H2,1-3H3
InChIKeyOZMSPLXBEBKURC-UHFFFAOYSA-N
XLogP10.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.77
LogP ≤ 510.23
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'}

Analyze 25-bromopentacosyl(trimethoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

22-bromodocosyl(trimethoxy)silane
CID 87682578
4-bromobutyl(trimethoxy)silane
CID 15433593
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
CID 102318715
18-bromooctadecyl(triethoxy)silane
CID 87686820
2-bromoethoxy-dimethoxy-pentylsilane
CID 142614027
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
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 25-bromopentacosyl(trimethoxy)silane?
The IUPAC name of 25-bromopentacosyl(trimethoxy)silane (CID 87680868) is 25-bromopentacosyl(trimethoxy)silane.
What is the SMILES notation for 25-bromopentacosyl(trimethoxy)silane?
The canonical SMILES for 25-bromopentacosyl(trimethoxy)silane is CO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCBr)(OC)OC.
What is the InChIKey of 25-bromopentacosyl(trimethoxy)silane?
The InChIKey is OZMSPLXBEBKURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59BrO3Si/c1-30-33(31-2,32-3)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29/h4-28H2,1-3H3.
What are the key properties of 25-bromopentacosyl(trimethoxy)silane?
25-bromopentacosyl(trimethoxy)silane has a molecular weight of 551.77 g/mol, XLogP of 10.23, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 25-bromopentacosyl(trimethoxy)silane is sourced from PubChem (CID 87680868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).