4-trimethylsilyloxycyclohexane-1-carboxylic acid

C10H20O3Si — CID 142719809

IUPAC4-trimethylsilyloxycyclohexane-1-carboxylic acid
SMILESC[Si](C)(C)OC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20O3Si/c1-14(2,3)13-9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeySABLVWIWVJSDJK-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.48
Rot. Bonds3

About 4-trimethylsilyloxycyclohexane-1-carboxylic acid

4-trimethylsilyloxycyclohexane-1-carboxylic acid (PubChem CID 142719809) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-trimethylsilyloxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-trimethylsilyloxycyclohexane-1-carboxylic acid
PubChem CID142719809
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-trimethylsilyloxycyclohexane-1-carboxylic acid
SMILESC[Si](C)(C)OC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20O3Si/c1-14(2,3)13-9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeySABLVWIWVJSDJK-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-trimethylsilyloxycyclohexane-1-carboxylic 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

4-trimethylsilylcyclohexane-1-carboxylic acid
CID 22157757
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid;methyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate;methyl 4-hydroxycyclohexane-1-carboxylate
CID 161257927
cyclopentyloxy(trimethyl)silane
CID 554693
4-(2,2-dimethylpropoxy)cyclohexane-1-carboxylic acid
CID 166848730
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-but-2-enoyloxycyclohexane-1-carboxylic acid
CID 67789284
4-butan-2-yloxycyclohexane-1-carboxylic acid
CID 90797146
CID 173230624
CID 173230624
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyloxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-trimethylsilyloxycyclohexane-1-carboxylic acid (CID 142719809) is 4-trimethylsilyloxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-trimethylsilyloxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-trimethylsilyloxycyclohexane-1-carboxylic acid is C[Si](C)(C)OC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-trimethylsilyloxycyclohexane-1-carboxylic acid?
The InChIKey is SABLVWIWVJSDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-14(2,3)13-9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-trimethylsilyloxycyclohexane-1-carboxylic acid?
4-trimethylsilyloxycyclohexane-1-carboxylic acid has a molecular weight of 216.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 142719809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).