6-trichlorosilylhexyl 3-bromo-2-methylpropanoate

C10H18BrCl3O2Si — CID 140615646

IUPAC6-trichlorosilylhexyl 3-bromo-2-methylpropanoate
SMILESCC(CBr)C(=O)OCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H18BrCl3O2Si/c1-9(8-11)10(15)16-6-4-2-3-5-7-17(12,13)14/h9H,2-8H2,1H3
InChIKeyUMZHXJNIYGXVMW-UHFFFAOYSA-N
MW384.60 g/mol
LogP4.78
Rot. Bonds9

About 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate

6-trichlorosilylhexyl 3-bromo-2-methylpropanoate (PubChem CID 140615646) has the molecular formula C10H18BrCl3O2Si and a molecular weight of 384.60 g/mol. Its IUPAC name is 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate.

Molecular Properties

Compound Name6-trichlorosilylhexyl 3-bromo-2-methylpropanoate
PubChem CID140615646
Molecular FormulaC10H18BrCl3O2Si
Molecular Weight384.60 g/mol
Exact Mass381.93
IUPAC Name6-trichlorosilylhexyl 3-bromo-2-methylpropanoate
SMILESCC(CBr)C(=O)OCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H18BrCl3O2Si/c1-9(8-11)10(15)16-6-4-2-3-5-7-17(12,13)14/h9H,2-8H2,1H3
InChIKeyUMZHXJNIYGXVMW-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.60
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

6-trichlorosilylhexyl 2-bromopropanoate
CID 59215465
7-trichlorosilylheptyl acetate
CID 150460177
4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
CID 150415152
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
8-trichlorosilyloctyl but-2-enoate
CID 174105922
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
9-trichlorosilylnonyl but-2-enoate
CID 174105776
5-bromopentyl 3-methoxy-2-methylpropanoate
CID 174268328

Frequently Asked Questions

What is the IUPAC name of 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate?
The IUPAC name of 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate (CID 140615646) is 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate.
What is the SMILES notation for 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate?
The canonical SMILES for 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate is CC(CBr)C(=O)OCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate?
The InChIKey is UMZHXJNIYGXVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrCl3O2Si/c1-9(8-11)10(15)16-6-4-2-3-5-7-17(12,13)14/h9H,2-8H2,1H3.
What are the key properties of 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate?
6-trichlorosilylhexyl 3-bromo-2-methylpropanoate has a molecular weight of 384.60 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trichlorosilylhexyl 3-bromo-2-methylpropanoate is sourced from PubChem (CID 140615646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).