23-[chloro(dimethyl)silyl]tricosanoic acid

C25H51ClO2Si — CID 87683997

IUPAC23-[chloro(dimethyl)silyl]tricosanoic acid
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H51ClO2Si/c1-29(2,26)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h3-24H2,1-2H3,(H,27,28)
InChIKeyHTSLWZMOBSQSJH-UHFFFAOYSA-N
MW447.22 g/mol
LogP9.71
Rot. Bonds23

About 23-[chloro(dimethyl)silyl]tricosanoic acid

23-[chloro(dimethyl)silyl]tricosanoic acid (PubChem CID 87683997) has the molecular formula C25H51ClO2Si and a molecular weight of 447.22 g/mol. Its IUPAC name is 23-[chloro(dimethyl)silyl]tricosanoic acid.

Molecular Properties

Compound Name23-[chloro(dimethyl)silyl]tricosanoic acid
PubChem CID87683997
Molecular FormulaC25H51ClO2Si
Molecular Weight447.22 g/mol
Exact Mass446.33
IUPAC Name23-[chloro(dimethyl)silyl]tricosanoic acid
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H51ClO2Si/c1-29(2,26)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h3-24H2,1-2H3,(H,27,28)
InChIKeyHTSLWZMOBSQSJH-UHFFFAOYSA-N
XLogP9.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.22
LogP ≤ 59.71
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

27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
6-trichlorosilylhexanoic acid
CID 123653334
18-trichlorosilyloctadecanoic acid
CID 87685456
39-trichlorosilylnonatriacontanoic acid
CID 87685424
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 23-[chloro(dimethyl)silyl]tricosanoic acid?
The IUPAC name of 23-[chloro(dimethyl)silyl]tricosanoic acid (CID 87683997) is 23-[chloro(dimethyl)silyl]tricosanoic acid.
What is the SMILES notation for 23-[chloro(dimethyl)silyl]tricosanoic acid?
The canonical SMILES for 23-[chloro(dimethyl)silyl]tricosanoic acid is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 23-[chloro(dimethyl)silyl]tricosanoic acid?
The InChIKey is HTSLWZMOBSQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51ClO2Si/c1-29(2,26)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h3-24H2,1-2H3,(H,27,28).
What are the key properties of 23-[chloro(dimethyl)silyl]tricosanoic acid?
23-[chloro(dimethyl)silyl]tricosanoic acid has a molecular weight of 447.22 g/mol, XLogP of 9.71, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[chloro(dimethyl)silyl]tricosanoic acid is sourced from PubChem (CID 87683997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).