4-trichlorosilylbutanoic acid;hydrochloride

C4H8Cl4O2Si — CID 87576501

IUPAC4-trichlorosilylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3O2Si.ClH/c5-10(6,7)3-1-2-4(8)9;/h1-3H2,(H,8,9);1H
InChIKeyBZBLJGKQCUZKSD-UHFFFAOYSA-N
MW258.00 g/mol
LogP2.93
Rot. Bonds4

About 4-trichlorosilylbutanoic acid;hydrochloride

4-trichlorosilylbutanoic acid;hydrochloride (PubChem CID 87576501) has the molecular formula C4H8Cl4O2Si and a molecular weight of 258.00 g/mol. Its IUPAC name is 4-trichlorosilylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-trichlorosilylbutanoic acid;hydrochloride
PubChem CID87576501
Molecular FormulaC4H8Cl4O2Si
Molecular Weight258.00 g/mol
Exact Mass255.90
IUPAC Name4-trichlorosilylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3O2Si.ClH/c5-10(6,7)3-1-2-4(8)9;/h1-3H2,(H,8,9);1H
InChIKeyBZBLJGKQCUZKSD-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.00
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-trichlorosilylhexanoic acid
CID 123653334
18-trichlorosilyloctadecanoic acid
CID 87685456
39-trichlorosilylnonatriacontanoic acid
CID 87685424
3-(3-trichlorosilylpropylsulfanyl)propanoic acid
CID 102309309
4-trihydroxysilylbutanoic acid
CID 102401251
heptanedioic acid;dihydrochloride
CID 87431923
hexanedioic acid;λ2-stannane;hydrochloride
CID 174930220
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
chloromethane;pentanedioic acid
CID 159659659
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of 4-trichlorosilylbutanoic acid;hydrochloride?
The IUPAC name of 4-trichlorosilylbutanoic acid;hydrochloride (CID 87576501) is 4-trichlorosilylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-trichlorosilylbutanoic acid;hydrochloride?
The canonical SMILES for 4-trichlorosilylbutanoic acid;hydrochloride is Cl.O=C(O)CCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 4-trichlorosilylbutanoic acid;hydrochloride?
The InChIKey is BZBLJGKQCUZKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl3O2Si.ClH/c5-10(6,7)3-1-2-4(8)9;/h1-3H2,(H,8,9);1H.
What are the key properties of 4-trichlorosilylbutanoic acid;hydrochloride?
4-trichlorosilylbutanoic acid;hydrochloride has a molecular weight of 258.00 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trichlorosilylbutanoic acid;hydrochloride is sourced from PubChem (CID 87576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).