3-(3-trichlorosilylpropylsulfanyl)propanoic acid

C6H11Cl3O2SSi — CID 102309309

IUPAC3-(3-trichlorosilylpropylsulfanyl)propanoic acid
SMILESO=C(O)CCSCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3O2SSi/c7-13(8,9)5-1-3-12-4-2-6(10)11/h1-5H2,(H,10,11)
InChIKeyOYWKOVUKBJXIKY-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.24
Rot. Bonds7

About 3-(3-trichlorosilylpropylsulfanyl)propanoic acid

3-(3-trichlorosilylpropylsulfanyl)propanoic acid (PubChem CID 102309309) has the molecular formula C6H11Cl3O2SSi and a molecular weight of 281.66 g/mol. Its IUPAC name is 3-(3-trichlorosilylpropylsulfanyl)propanoic acid.

Molecular Properties

Compound Name3-(3-trichlorosilylpropylsulfanyl)propanoic acid
PubChem CID102309309
Molecular FormulaC6H11Cl3O2SSi
Molecular Weight281.66 g/mol
Exact Mass279.93
IUPAC Name3-(3-trichlorosilylpropylsulfanyl)propanoic acid
SMILESO=C(O)CCSCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3O2SSi/c7-13(8,9)5-1-3-12-4-2-6(10)11/h1-5H2,(H,10,11)
InChIKeyOYWKOVUKBJXIKY-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-trichlorosilylbutanoic acid;hydrochloride
CID 87576501
18-trichlorosilyloctadecanoic acid
CID 87685456
39-trichlorosilylnonatriacontanoic acid
CID 87685424
6-trichlorosilylhexanoic acid
CID 123653334
sodium;3-(2-carboxyethylsulfanyl)propanoic acid;hydride
CID 173005552
6-(5-carboxypentylsulfanyl)hexanoic acid
CID 11108146
3-(2-carboxyethylsulfanyl)propanoic acid;2-sulfanylacetic acid
CID 174828911
10-(9-carboxynonylsulfanyl)decanoic acid
CID 22572392
3-(2-carboxyethylsulfanyl)propanoic acid;octadecane
CID 160878181
3-(3-methoxypropylsulfanyl)propanoic acid
CID 60779029
CID 131881076
CID 131881076
3-(4-methoxy-4-oxobutyl)sulfanylpropanoic acid
CID 43377714

Frequently Asked Questions

What is the IUPAC name of 3-(3-trichlorosilylpropylsulfanyl)propanoic acid?
The IUPAC name of 3-(3-trichlorosilylpropylsulfanyl)propanoic acid (CID 102309309) is 3-(3-trichlorosilylpropylsulfanyl)propanoic acid.
What is the SMILES notation for 3-(3-trichlorosilylpropylsulfanyl)propanoic acid?
The canonical SMILES for 3-(3-trichlorosilylpropylsulfanyl)propanoic acid is O=C(O)CCSCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 3-(3-trichlorosilylpropylsulfanyl)propanoic acid?
The InChIKey is OYWKOVUKBJXIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl3O2SSi/c7-13(8,9)5-1-3-12-4-2-6(10)11/h1-5H2,(H,10,11).
What are the key properties of 3-(3-trichlorosilylpropylsulfanyl)propanoic acid?
3-(3-trichlorosilylpropylsulfanyl)propanoic acid has a molecular weight of 281.66 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trichlorosilylpropylsulfanyl)propanoic acid is sourced from PubChem (CID 102309309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).