27-[chloro(dimethyl)silyl]heptacosanoic acid

C29H59ClO2Si — CID 87685703

IUPAC27-[chloro(dimethyl)silyl]heptacosanoic acid
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C29H59ClO2Si/c1-33(2,30)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32/h3-28H2,1-2H3,(H,31,32)
InChIKeyCLQGAELCNBYCPR-UHFFFAOYSA-N
MW503.33 g/mol
LogP11.27
Rot. Bonds27

About 27-[chloro(dimethyl)silyl]heptacosanoic acid

27-[chloro(dimethyl)silyl]heptacosanoic acid (PubChem CID 87685703) has the molecular formula C29H59ClO2Si and a molecular weight of 503.33 g/mol. Its IUPAC name is 27-[chloro(dimethyl)silyl]heptacosanoic acid.

Molecular Properties

Compound Name27-[chloro(dimethyl)silyl]heptacosanoic acid
PubChem CID87685703
Molecular FormulaC29H59ClO2Si
Molecular Weight503.33 g/mol
Exact Mass502.40
IUPAC Name27-[chloro(dimethyl)silyl]heptacosanoic acid
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C29H59ClO2Si/c1-33(2,30)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32/h3-28H2,1-2H3,(H,31,32)
InChIKeyCLQGAELCNBYCPR-UHFFFAOYSA-N
XLogP11.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.33
LogP ≤ 511.27
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

23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
18-trichlorosilyloctadecanoic acid
CID 87685456
39-trichlorosilylnonatriacontanoic acid
CID 87685424
6-trichlorosilylhexanoic acid
CID 123653334
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 27-[chloro(dimethyl)silyl]heptacosanoic acid?
The IUPAC name of 27-[chloro(dimethyl)silyl]heptacosanoic acid (CID 87685703) is 27-[chloro(dimethyl)silyl]heptacosanoic acid.
What is the SMILES notation for 27-[chloro(dimethyl)silyl]heptacosanoic acid?
The canonical SMILES for 27-[chloro(dimethyl)silyl]heptacosanoic acid is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 27-[chloro(dimethyl)silyl]heptacosanoic acid?
The InChIKey is CLQGAELCNBYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59ClO2Si/c1-33(2,30)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32/h3-28H2,1-2H3,(H,31,32).
What are the key properties of 27-[chloro(dimethyl)silyl]heptacosanoic acid?
27-[chloro(dimethyl)silyl]heptacosanoic acid has a molecular weight of 503.33 g/mol, XLogP of 11.27, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 27-[chloro(dimethyl)silyl]heptacosanoic acid is sourced from PubChem (CID 87685703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).