4-trimethylsilylcyclohexane-1-carboxylic acid

C10H20O2Si — CID 22157757

IUPAC4-trimethylsilylcyclohexane-1-carboxylic acid
SMILESC[Si](C)(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20O2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyQSIPQOKHSZEVBN-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.97
Rot. Bonds2

About 4-trimethylsilylcyclohexane-1-carboxylic acid

4-trimethylsilylcyclohexane-1-carboxylic acid (PubChem CID 22157757) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-trimethylsilylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-trimethylsilylcyclohexane-1-carboxylic acid
PubChem CID22157757
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4-trimethylsilylcyclohexane-1-carboxylic acid
SMILESC[Si](C)(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20O2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyQSIPQOKHSZEVBN-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
4-trimethylsilyloxycyclohexane-1-carboxylic acid
CID 142719809
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081
CID 173230624
CID 173230624
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
cyclopentanecarboxylic acid
CID 18840
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(4-carboxycyclohexyl)azanium
CID 4518459
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-trimethylsilylcyclohexane-1-carboxylic acid (CID 22157757) is 4-trimethylsilylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-trimethylsilylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-trimethylsilylcyclohexane-1-carboxylic acid is C[Si](C)(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-trimethylsilylcyclohexane-1-carboxylic acid?
The InChIKey is QSIPQOKHSZEVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-13(2,3)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-trimethylsilylcyclohexane-1-carboxylic acid?
4-trimethylsilylcyclohexane-1-carboxylic acid has a molecular weight of 200.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 22157757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).