chloro-methyl-octyl-phenylsilane

C15H25ClSi — CID 66989770

IUPACchloro-methyl-octyl-phenylsilane
SMILESCCCCCCCC[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C15H25ClSi/c1-3-4-5-6-7-11-14-17(2,16)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3
InChIKeyQRSRAPDHZOQORU-UHFFFAOYSA-N
MW268.90 g/mol
LogP5.07
Rot. Bonds8

About chloro-methyl-octyl-phenylsilane

chloro-methyl-octyl-phenylsilane (PubChem CID 66989770) has the molecular formula C15H25ClSi and a molecular weight of 268.90 g/mol. Its IUPAC name is chloro-methyl-octyl-phenylsilane.

Molecular Properties

Compound Namechloro-methyl-octyl-phenylsilane
PubChem CID66989770
Molecular FormulaC15H25ClSi
Molecular Weight268.90 g/mol
Exact Mass268.14
IUPAC Namechloro-methyl-octyl-phenylsilane
SMILESCCCCCCCC[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C15H25ClSi/c1-3-4-5-6-7-11-14-17(2,16)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3
InChIKeyQRSRAPDHZOQORU-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.90
LogP ≤ 55.07
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': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dichloro-heptyl-phenylsilane
CID 101161411
chloro-hexyl-iodo-phenylsilane
CID 154486835
icosyl-dimethyl-phenylsilane
CID 91054385
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
chloro-methyl-oct-7-enyl-phenylsilane
CID 54527858
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
heptadecyl(triphenyl)silane
CID 4520075
iodo-methyl-octyl-phenylsilane
CID 154486879
chloro-hex-5-enyl-methyl-phenylsilane
CID 54080342
dichloro(diphenyl)silane;octadecan-1-amine
CID 157092949
[dimethyl(phenyl)silyl]-hexyl-methoxy-methylsilane
CID 139631934

Frequently Asked Questions

What is the IUPAC name of chloro-methyl-octyl-phenylsilane?
The IUPAC name of chloro-methyl-octyl-phenylsilane (CID 66989770) is chloro-methyl-octyl-phenylsilane.
What is the SMILES notation for chloro-methyl-octyl-phenylsilane?
The canonical SMILES for chloro-methyl-octyl-phenylsilane is CCCCCCCC[Si](C)(Cl)c1ccccc1.
What is the InChIKey of chloro-methyl-octyl-phenylsilane?
The InChIKey is QRSRAPDHZOQORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClSi/c1-3-4-5-6-7-11-14-17(2,16)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3.
What are the key properties of chloro-methyl-octyl-phenylsilane?
chloro-methyl-octyl-phenylsilane has a molecular weight of 268.90 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-octyl-phenylsilane is sourced from PubChem (CID 66989770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).