22-bromodocosyl(trimethoxy)silane

C25H53BrO3Si — CID 87682578

IUPAC22-bromodocosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCBr)(OC)OC
InChIInChI=1S/C25H53BrO3Si/c1-27-30(28-2,29-3)25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26/h4-25H2,1-3H3
InChIKeyDMGGZWJBXZRUCC-UHFFFAOYSA-N
MW509.69 g/mol
LogP9.06
Rot. Bonds25

About 22-bromodocosyl(trimethoxy)silane

22-bromodocosyl(trimethoxy)silane (PubChem CID 87682578) has the molecular formula C25H53BrO3Si and a molecular weight of 509.69 g/mol. Its IUPAC name is 22-bromodocosyl(trimethoxy)silane.

Molecular Properties

Compound Name22-bromodocosyl(trimethoxy)silane
PubChem CID87682578
Molecular FormulaC25H53BrO3Si
Molecular Weight509.69 g/mol
Exact Mass508.29
IUPAC Name22-bromodocosyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCBr)(OC)OC
InChIInChI=1S/C25H53BrO3Si/c1-27-30(28-2,29-3)25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26/h4-25H2,1-3H3
InChIKeyDMGGZWJBXZRUCC-UHFFFAOYSA-N
XLogP9.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 59.06
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

25-bromopentacosyl(trimethoxy)silane
CID 87680868
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 22-bromodocosyl(trimethoxy)silane?
The IUPAC name of 22-bromodocosyl(trimethoxy)silane (CID 87682578) is 22-bromodocosyl(trimethoxy)silane.
What is the SMILES notation for 22-bromodocosyl(trimethoxy)silane?
The canonical SMILES for 22-bromodocosyl(trimethoxy)silane is CO[Si](CCCCCCCCCCCCCCCCCCCCCCBr)(OC)OC.
What is the InChIKey of 22-bromodocosyl(trimethoxy)silane?
The InChIKey is DMGGZWJBXZRUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53BrO3Si/c1-27-30(28-2,29-3)25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26/h4-25H2,1-3H3.
What are the key properties of 22-bromodocosyl(trimethoxy)silane?
22-bromodocosyl(trimethoxy)silane has a molecular weight of 509.69 g/mol, XLogP of 9.06, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-bromodocosyl(trimethoxy)silane is sourced from PubChem (CID 87682578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).