chloro-hex-5-enyl-methyl-phenylsilane

C13H19ClSi — CID 54080342

IUPACchloro-hex-5-enyl-methyl-phenylsilane
SMILESC=CCCCC[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C13H19ClSi/c1-3-4-5-9-12-15(2,14)13-10-7-6-8-11-13/h3,6-8,10-11H,1,4-5,9,12H2,2H3
InChIKeyMMQQMBQDFUOOCC-UHFFFAOYSA-N
MW238.83 g/mol
LogP4.06
Rot. Bonds6

About chloro-hex-5-enyl-methyl-phenylsilane

chloro-hex-5-enyl-methyl-phenylsilane (PubChem CID 54080342) has the molecular formula C13H19ClSi and a molecular weight of 238.83 g/mol. Its IUPAC name is chloro-hex-5-enyl-methyl-phenylsilane.

Molecular Properties

Compound Namechloro-hex-5-enyl-methyl-phenylsilane
PubChem CID54080342
Molecular FormulaC13H19ClSi
Molecular Weight238.83 g/mol
Exact Mass238.09
IUPAC Namechloro-hex-5-enyl-methyl-phenylsilane
SMILESC=CCCCC[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C13H19ClSi/c1-3-4-5-9-12-15(2,14)13-10-7-6-8-11-13/h3,6-8,10-11H,1,4-5,9,12H2,2H3
InChIKeyMMQQMBQDFUOOCC-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.83
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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chloro-methyl-octyl-phenylsilane
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but-3-enyl-methyl-phenyl-prop-2-enylsilane
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[(2Z)-hepta-2,6-dienyl]-dimethyl-phenylsilane
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but-3-enyl(trimethyl)silane;ethenyl-dimethyl-phenylsilane
CID 175590595
[(1E)-dodeca-1,11-dienyl]-triphenylsilane
CID 135057523
hex-5-enyl-dimethyl-(4-phenylbutan-2-yl)silane
CID 146915207
trichloro(hex-5-enyl)silane
CID 10856932
bis(dodec-11-enyl)-dimethylsilane
CID 171781898
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
butyl-chloro-ethenyl-phenylsilane
CID 67342810
dimethyl-(3-methylocta-1,2,7-trienyl)-phenylsilane
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Frequently Asked Questions

What is the IUPAC name of chloro-hex-5-enyl-methyl-phenylsilane?
The IUPAC name of chloro-hex-5-enyl-methyl-phenylsilane (CID 54080342) is chloro-hex-5-enyl-methyl-phenylsilane.
What is the SMILES notation for chloro-hex-5-enyl-methyl-phenylsilane?
The canonical SMILES for chloro-hex-5-enyl-methyl-phenylsilane is C=CCCCC[Si](C)(Cl)c1ccccc1.
What is the InChIKey of chloro-hex-5-enyl-methyl-phenylsilane?
The InChIKey is MMQQMBQDFUOOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClSi/c1-3-4-5-9-12-15(2,14)13-10-7-6-8-11-13/h3,6-8,10-11H,1,4-5,9,12H2,2H3.
What are the key properties of chloro-hex-5-enyl-methyl-phenylsilane?
chloro-hex-5-enyl-methyl-phenylsilane has a molecular weight of 238.83 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-hex-5-enyl-methyl-phenylsilane is sourced from PubChem (CID 54080342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).