40-bromotetracontyl(dichloro)silane

C40H81BrCl2Si — CID 173135561

IUPAC40-bromotetracontyl(dichloro)silane
SMILESCl[SiH](Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C40H81BrCl2Si/c41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44(42)43/h44H,1-40H2
InChIKeyANKLOIZIIRTLDE-UHFFFAOYSA-N
MW740.98 g/mol
LogP16.90
Rot. Bonds40

About 40-bromotetracontyl(dichloro)silane

40-bromotetracontyl(dichloro)silane (PubChem CID 173135561) has the molecular formula C40H81BrCl2Si and a molecular weight of 740.98 g/mol. Its IUPAC name is 40-bromotetracontyl(dichloro)silane.

Molecular Properties

Compound Name40-bromotetracontyl(dichloro)silane
PubChem CID173135561
Molecular FormulaC40H81BrCl2Si
Molecular Weight740.98 g/mol
Exact Mass738.47
IUPAC Name40-bromotetracontyl(dichloro)silane
SMILESCl[SiH](Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C40H81BrCl2Si/c41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44(42)43/h44H,1-40H2
InChIKeyANKLOIZIIRTLDE-UHFFFAOYSA-N
XLogP16.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds40
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.98
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(11-Bromoundecyl)trichlorosilane
CID 15895053
Silane, (8-bromooctyl)trichloro-
CID 116923
14-Bromotetradecyl(trichloro)silane
CID 18186029
(16-Bromohexadecyl)(trichloro)silane
CID 22259932
10-Bromodecyl(trichloro)silane
CID 22723546
17-Bromoheptadecyl(trichloro)silane
CID 85683174
34-Bromotetratriacontyl-chloro-dimethylsilane
CID 87680706
23-Bromotricosyl-dichloro-methylsilane
CID 87680803
27-Bromoheptacosyl(trichloro)silane
CID 87681071
32-Bromodotriacontyl(trichloro)silane
CID 87681347
9-Bromononyl(trichloro)silane
CID 87681579
39-Bromononatriacontyl-dichloro-methylsilane
CID 87681587

Frequently Asked Questions

What is the IUPAC name of 40-bromotetracontyl(dichloro)silane?
The IUPAC name of 40-bromotetracontyl(dichloro)silane (CID 173135561) is 40-bromotetracontyl(dichloro)silane.
What is the SMILES notation for 40-bromotetracontyl(dichloro)silane?
The canonical SMILES for 40-bromotetracontyl(dichloro)silane is Cl[SiH](Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 40-bromotetracontyl(dichloro)silane?
The InChIKey is ANKLOIZIIRTLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H81BrCl2Si/c41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44(42)43/h44H,1-40H2.
What are the key properties of 40-bromotetracontyl(dichloro)silane?
40-bromotetracontyl(dichloro)silane has a molecular weight of 740.98 g/mol, XLogP of 16.90, 40 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 40-bromotetracontyl(dichloro)silane is sourced from PubChem (CID 173135561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).