trimethylsilyl 4-hydroxycyclohexane-1-carboxylate

C10H20O3Si — CID 91713349

IUPACtrimethylsilyl 4-hydroxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCC(O)CC1
InChIInChI=1S/C10H20O3Si/c1-14(2,3)13-10(12)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKeyZTKLJAVGWGDZCJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.92
Rot. Bonds2

About trimethylsilyl 4-hydroxycyclohexane-1-carboxylate

trimethylsilyl 4-hydroxycyclohexane-1-carboxylate (PubChem CID 91713349) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is trimethylsilyl 4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 4-hydroxycyclohexane-1-carboxylate
PubChem CID91713349
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Nametrimethylsilyl 4-hydroxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCC(O)CC1
InChIInChI=1S/C10H20O3Si/c1-14(2,3)13-10(12)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKeyZTKLJAVGWGDZCJ-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilyl 4-hydroxycyclohexane-1-carboxylate 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-Hydroxycyclohexanecarboxylic acid
CID 151138
Ethyl 4-hydroxycyclohexanecarboxylate
CID 86973
Methyl 4-hydroxycyclohexanecarboxylate
CID 87117
4-Hydroxy-cyclohexanecarboxylic acid butyl ester
CID 70804341
Rac-(1r,4r)-4-(pentyloxy)cyclohexane-1-carboxylic acid
CID 15491616
4-Ethoxycyclohexane-1-carboxylic acid
CID 21196867
trans-4-Hydroxycyclohexanecarboxylate
CID 19034555
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
3-Methyl-5-hydroxy-heptanoic acid
CID 143025483
2-Trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 59001147
4-[Tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylic acid
CID 160305904
Trimethylsilyl 4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 533404

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of trimethylsilyl 4-hydroxycyclohexane-1-carboxylate (CID 91713349) is trimethylsilyl 4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for trimethylsilyl 4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for trimethylsilyl 4-hydroxycyclohexane-1-carboxylate is C[Si](C)(C)OC(=O)C1CCC(O)CC1.
What is the InChIKey of trimethylsilyl 4-hydroxycyclohexane-1-carboxylate?
The InChIKey is ZTKLJAVGWGDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-14(2,3)13-10(12)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3.
What are the key properties of trimethylsilyl 4-hydroxycyclohexane-1-carboxylate?
trimethylsilyl 4-hydroxycyclohexane-1-carboxylate has a molecular weight of 216.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 91713349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).