dichloro-(1-chloroethyl)-ethylsilane

C4H9Cl3Si — CID 12845671

IUPACdichloro-(1-chloroethyl)-ethylsilane
SMILESCC[Si](Cl)(Cl)C(C)Cl
InChIInChI=1S/C4H9Cl3Si/c1-3-8(6,7)4(2)5/h4H,3H2,1-2H3
InChIKeySNBMTKKAYOXWHZ-UHFFFAOYSA-N
MW191.56 g/mol
LogP3.09
Rot. Bonds2

About dichloro-(1-chloroethyl)-ethylsilane

dichloro-(1-chloroethyl)-ethylsilane (PubChem CID 12845671) has the molecular formula C4H9Cl3Si and a molecular weight of 191.56 g/mol. Its IUPAC name is dichloro-(1-chloroethyl)-ethylsilane.

Molecular Properties

Compound Namedichloro-(1-chloroethyl)-ethylsilane
PubChem CID12845671
Molecular FormulaC4H9Cl3Si
Molecular Weight191.56 g/mol
Exact Mass189.95
IUPAC Namedichloro-(1-chloroethyl)-ethylsilane
SMILESCC[Si](Cl)(Cl)C(C)Cl
InChIInChI=1S/C4H9Cl3Si/c1-3-8(6,7)4(2)5/h4H,3H2,1-2H3
InChIKeySNBMTKKAYOXWHZ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.56
LogP ≤ 53.09
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-chloroethoxy-ethyl-dimethylsilane
CID 143903515
trichloro(ethyl)silane
CID 8260
1-chloroethyl-diethoxy-ethylsilane
CID 54412794
acetic acid;chloro-ethyl-dimethylsilane
CID 174390963
dichloromethyl-diethyl-propan-2-ylsilane
CID 141287715
chloro-[2-(chloro-ethyl-propan-2-ylsilyl)ethynyl]-ethyl-propan-2-ylsilane
CID 139633978
CID 136771246
CID 136771246
ethyl-dihydroxy-propan-2-ylsilane
CID 142708392
chloro-(2-chloropropyl)-dimethylsilane
CID 11355737
2-chlorobutane;silane
CID 174414093
chloro-(3-chlorobutyl)-ethoxy-methylsilane
CID 23105416
[chloro(fluoro)methyl]-triethylsilane
CID 23235527

Frequently Asked Questions

What is the IUPAC name of dichloro-(1-chloroethyl)-ethylsilane?
The IUPAC name of dichloro-(1-chloroethyl)-ethylsilane (CID 12845671) is dichloro-(1-chloroethyl)-ethylsilane.
What is the SMILES notation for dichloro-(1-chloroethyl)-ethylsilane?
The canonical SMILES for dichloro-(1-chloroethyl)-ethylsilane is CC[Si](Cl)(Cl)C(C)Cl.
What is the InChIKey of dichloro-(1-chloroethyl)-ethylsilane?
The InChIKey is SNBMTKKAYOXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl3Si/c1-3-8(6,7)4(2)5/h4H,3H2,1-2H3.
What are the key properties of dichloro-(1-chloroethyl)-ethylsilane?
dichloro-(1-chloroethyl)-ethylsilane has a molecular weight of 191.56 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(1-chloroethyl)-ethylsilane is sourced from PubChem (CID 12845671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).