6-trichlorosilylhexanoic acid

C6H11Cl3O2Si — CID 123653334

IUPAC6-trichlorosilylhexanoic acid
SMILESO=C(O)CCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3O2Si/c7-12(8,9)5-3-1-2-4-6(10)11/h1-5H2,(H,10,11)
InChIKeyFPUDPRLGFNEJRR-UHFFFAOYSA-N
MW249.60 g/mol
LogP3.29
Rot. Bonds6

About 6-trichlorosilylhexanoic acid

6-trichlorosilylhexanoic acid (PubChem CID 123653334) has the molecular formula C6H11Cl3O2Si and a molecular weight of 249.60 g/mol. Its IUPAC name is 6-trichlorosilylhexanoic acid.

Molecular Properties

Compound Name6-trichlorosilylhexanoic acid
PubChem CID123653334
Molecular FormulaC6H11Cl3O2Si
Molecular Weight249.60 g/mol
Exact Mass247.96
IUPAC Name6-trichlorosilylhexanoic acid
SMILESO=C(O)CCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3O2Si/c7-12(8,9)5-3-1-2-4-6(10)11/h1-5H2,(H,10,11)
InChIKeyFPUDPRLGFNEJRR-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.60
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

18-trichlorosilyloctadecanoic acid
CID 87685456
39-trichlorosilylnonatriacontanoic acid
CID 87685424
4-trichlorosilylbutanoic acid;hydrochloride
CID 87576501
27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
triacontanedioic acid
CID 5322010
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of 6-trichlorosilylhexanoic acid?
The IUPAC name of 6-trichlorosilylhexanoic acid (CID 123653334) is 6-trichlorosilylhexanoic acid.
What is the SMILES notation for 6-trichlorosilylhexanoic acid?
The canonical SMILES for 6-trichlorosilylhexanoic acid is O=C(O)CCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 6-trichlorosilylhexanoic acid?
The InChIKey is FPUDPRLGFNEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl3O2Si/c7-12(8,9)5-3-1-2-4-6(10)11/h1-5H2,(H,10,11).
What are the key properties of 6-trichlorosilylhexanoic acid?
6-trichlorosilylhexanoic acid has a molecular weight of 249.60 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trichlorosilylhexanoic acid is sourced from PubChem (CID 123653334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).