chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane

C9H12Cl2Si — CID 151507407

IUPACchloro-[1-chloro-1-(4-methylphenyl)ethyl]silane
SMILESCc1ccc(C(C)(Cl)[SiH2]Cl)cc1
InChIInChI=1S/C9H12Cl2Si/c1-7-3-5-8(6-4-7)9(2,10)12-11/h3-6H,12H2,1-2H3
InChIKeyPRSKHRQJHLLKPV-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.73
Rot. Bonds2

About chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane

chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane (PubChem CID 151507407) has the molecular formula C9H12Cl2Si and a molecular weight of 219.19 g/mol. Its IUPAC name is chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane.

Molecular Properties

Compound Namechloro-[1-chloro-1-(4-methylphenyl)ethyl]silane
PubChem CID151507407
Molecular FormulaC9H12Cl2Si
Molecular Weight219.19 g/mol
Exact Mass218.01
IUPAC Namechloro-[1-chloro-1-(4-methylphenyl)ethyl]silane
SMILESCc1ccc(C(C)(Cl)[SiH2]Cl)cc1
InChIInChI=1S/C9H12Cl2Si/c1-7-3-5-8(6-4-7)9(2,10)12-11/h3-6H,12H2,1-2H3
InChIKeyPRSKHRQJHLLKPV-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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

1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
CID 11832317
1-tert-butyl-4-methylbenzene
CID 163486601
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene
CID 90984706
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1,1,1,2,2,2-hexachloroethane;1,4-xylene
CID 174736930
dichloro(difluoro)methane;1,4-xylene
CID 161479390
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470

Frequently Asked Questions

What is the IUPAC name of chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane?
The IUPAC name of chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane (CID 151507407) is chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane.
What is the SMILES notation for chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane?
The canonical SMILES for chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane is Cc1ccc(C(C)(Cl)[SiH2]Cl)cc1.
What is the InChIKey of chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane?
The InChIKey is PRSKHRQJHLLKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2Si/c1-7-3-5-8(6-4-7)9(2,10)12-11/h3-6H,12H2,1-2H3.
What are the key properties of chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane?
chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane has a molecular weight of 219.19 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[1-chloro-1-(4-methylphenyl)ethyl]silane is sourced from PubChem (CID 151507407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).