2-silyl-2-undecyloctadecanoic acid

C29H60O2Si — CID 173379803

IUPAC2-silyl-2-undecyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC([SiH3])(CCCCCCCCCCC)C(=O)O
InChIInChI=1S/C29H60O2Si/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-29(32,28(30)31)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2,32H3,(H,30,31)
InChIKeyLHRJKGQQWMCCFH-UHFFFAOYSA-N
MW468.88 g/mol
LogP9.39
Rot. Bonds26

About 2-silyl-2-undecyloctadecanoic acid

2-silyl-2-undecyloctadecanoic acid (PubChem CID 173379803) has the molecular formula C29H60O2Si and a molecular weight of 468.88 g/mol. Its IUPAC name is 2-silyl-2-undecyloctadecanoic acid.

Molecular Properties

Compound Name2-silyl-2-undecyloctadecanoic acid
PubChem CID173379803
Molecular FormulaC29H60O2Si
Molecular Weight468.88 g/mol
Exact Mass468.44
IUPAC Name2-silyl-2-undecyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC([SiH3])(CCCCCCCCCCC)C(=O)O
InChIInChI=1S/C29H60O2Si/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-29(32,28(30)31)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2,32H3,(H,30,31)
InChIKeyLHRJKGQQWMCCFH-UHFFFAOYSA-N
XLogP9.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.88
LogP ≤ 59.39
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'}

Analyze 2-silyl-2-undecyloctadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
octadecane-1,1,1-tricarboxylic acid
CID 57231234
triacontane-1,1,1-tricarboxylic acid
CID 141175641
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2-decyl-2-methyltetradecanoic acid
CID 611890
2-hydroxy-2-pentyloctanoic acid
CID 18462834
2,2-dimethyldocosanoic acid
CID 23471202
2,3-dihydroxy-2,3-dioctadecylbutanedioic acid
CID 87193003

Frequently Asked Questions

What is the IUPAC name of 2-silyl-2-undecyloctadecanoic acid?
The IUPAC name of 2-silyl-2-undecyloctadecanoic acid (CID 173379803) is 2-silyl-2-undecyloctadecanoic acid.
What is the SMILES notation for 2-silyl-2-undecyloctadecanoic acid?
The canonical SMILES for 2-silyl-2-undecyloctadecanoic acid is CCCCCCCCCCCCCCCCC([SiH3])(CCCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-silyl-2-undecyloctadecanoic acid?
The InChIKey is LHRJKGQQWMCCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O2Si/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-29(32,28(30)31)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2,32H3,(H,30,31).
What are the key properties of 2-silyl-2-undecyloctadecanoic acid?
2-silyl-2-undecyloctadecanoic acid has a molecular weight of 468.88 g/mol, XLogP of 9.39, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-silyl-2-undecyloctadecanoic acid is sourced from PubChem (CID 173379803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).