2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate

C13H26O2Si — CID 59599392

IUPAC2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate
SMILESCC1CCCC(C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H26O2Si/c1-11-6-5-7-12(10-11)13(14)15-8-9-16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeySFIPDSFPPMANIF-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.69
Rot. Bonds4

About 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate

2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate (PubChem CID 59599392) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate
PubChem CID59599392
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate
SMILESCC1CCCC(C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H26O2Si/c1-11-6-5-7-12(10-11)13(14)15-8-9-16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeySFIPDSFPPMANIF-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methylcyclohexanecarbonyl)oxyethyl]cyclohexane-1-carboxylic acid
CID 167106640
cis-[(1R,3S)-3-methylcyclohexanecarbonyl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 98119844
2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 59001147
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 161025451
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate
CID 11087431
methane;3-methylcyclohexane-1-carboxylic acid;methyl 3-methylcyclohexane-1-carboxylate
CID 165044435
2-trimethylsilylethyl (2S)-pyrrolidine-2-carboxylate
CID 15338392
3-O-heptyl 1-O-undecyl cyclohexane-1,3-dicarboxylate
CID 91536693

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate (CID 59599392) is 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate is CC1CCCC(C(=O)OCC[Si](C)(C)C)C1.
What is the InChIKey of 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate?
The InChIKey is SFIPDSFPPMANIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11-6-5-7-12(10-11)13(14)15-8-9-16(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate?
2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate has a molecular weight of 242.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 59599392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).