39-bromononatriacontyl-dichloro-methylsilane

C40H81BrCl2Si — CID 87681587

IUPAC39-bromononatriacontyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C40H81BrCl2Si/c1-44(42,43)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41/h2-40H2,1H3
InChIKeyLWEJTYLCQSVESR-UHFFFAOYSA-N
MW740.98 g/mol
LogP17.36
Rot. Bonds39

About 39-bromononatriacontyl-dichloro-methylsilane

39-bromononatriacontyl-dichloro-methylsilane (PubChem CID 87681587) has the molecular formula C40H81BrCl2Si and a molecular weight of 740.98 g/mol. Its IUPAC name is 39-bromononatriacontyl-dichloro-methylsilane.

Molecular Properties

Compound Name39-bromononatriacontyl-dichloro-methylsilane
PubChem CID87681587
Molecular FormulaC40H81BrCl2Si
Molecular Weight740.98 g/mol
Exact Mass738.47
IUPAC Name39-bromononatriacontyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C40H81BrCl2Si/c1-44(42,43)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41/h2-40H2,1H3
InChIKeyLWEJTYLCQSVESR-UHFFFAOYSA-N
XLogP17.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.98
LogP ≤ 517.36
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'}

Analyze 39-bromononatriacontyl-dichloro-methylsilane 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

CID 22137187
CID 22137187
CID 132528519
CID 132528519
CID 14383463
CID 14383463
CID 20198239
CID 20198239
CID 22259932
CID 22259932
CID 22416728
CID 22416728
CID 22635111
CID 22635111
CID 57056815
CID 57056815
CID 85683174
CID 85683174
CID 86200859
CID 86200859
CID 87680706
CID 87680706
CID 87680803
CID 87680803

Frequently Asked Questions

What is the IUPAC name of 39-bromononatriacontyl-dichloro-methylsilane?
The IUPAC name of 39-bromononatriacontyl-dichloro-methylsilane (CID 87681587) is 39-bromononatriacontyl-dichloro-methylsilane.
What is the SMILES notation for 39-bromononatriacontyl-dichloro-methylsilane?
The canonical SMILES for 39-bromononatriacontyl-dichloro-methylsilane is C[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 39-bromononatriacontyl-dichloro-methylsilane?
The InChIKey is LWEJTYLCQSVESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H81BrCl2Si/c1-44(42,43)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41/h2-40H2,1H3.
What are the key properties of 39-bromononatriacontyl-dichloro-methylsilane?
39-bromononatriacontyl-dichloro-methylsilane has a molecular weight of 740.98 g/mol, XLogP of 17.36, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 39-bromononatriacontyl-dichloro-methylsilane is sourced from PubChem (CID 87681587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).