18-trichlorosilyloctadecanoic acid

C18H35Cl3O2Si — CID 87685456

IUPAC18-trichlorosilyloctadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H35Cl3O2Si/c19-24(20,21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(22)23/h1-17H2,(H,22,23)
InChIKeyYBAVQOZEBHLFDB-UHFFFAOYSA-N
MW417.92 g/mol
LogP7.97
Rot. Bonds18

About 18-trichlorosilyloctadecanoic acid

18-trichlorosilyloctadecanoic acid (PubChem CID 87685456) has the molecular formula C18H35Cl3O2Si and a molecular weight of 417.92 g/mol. Its IUPAC name is 18-trichlorosilyloctadecanoic acid.

Molecular Properties

Compound Name18-trichlorosilyloctadecanoic acid
PubChem CID87685456
Molecular FormulaC18H35Cl3O2Si
Molecular Weight417.92 g/mol
Exact Mass416.15
IUPAC Name18-trichlorosilyloctadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H35Cl3O2Si/c19-24(20,21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(22)23/h1-17H2,(H,22,23)
InChIKeyYBAVQOZEBHLFDB-UHFFFAOYSA-N
XLogP7.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.92
LogP ≤ 57.97
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

6-trichlorosilylhexanoic acid
CID 123653334
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
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 18-trichlorosilyloctadecanoic acid?
The IUPAC name of 18-trichlorosilyloctadecanoic acid (CID 87685456) is 18-trichlorosilyloctadecanoic acid.
What is the SMILES notation for 18-trichlorosilyloctadecanoic acid?
The canonical SMILES for 18-trichlorosilyloctadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 18-trichlorosilyloctadecanoic acid?
The InChIKey is YBAVQOZEBHLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35Cl3O2Si/c19-24(20,21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(22)23/h1-17H2,(H,22,23).
What are the key properties of 18-trichlorosilyloctadecanoic acid?
18-trichlorosilyloctadecanoic acid has a molecular weight of 417.92 g/mol, XLogP of 7.97, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-trichlorosilyloctadecanoic acid is sourced from PubChem (CID 87685456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).