2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate

C13H26O3Si — CID 142508516

IUPAC2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)OCC[Si](C)(C)C)CCC(O)CC1
InChIInChI=1S/C13H26O3Si/c1-13(7-5-11(14)6-8-13)12(15)16-9-10-17(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyFPFWSBUQFKSIBH-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.81
Rot. Bonds4

About 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate

2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate (PubChem CID 142508516) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
PubChem CID142508516
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)OCC[Si](C)(C)C)CCC(O)CC1
InChIInChI=1S/C13H26O3Si/c1-13(7-5-11(14)6-8-13)12(15)16-9-10-17(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyFPFWSBUQFKSIBH-UHFFFAOYSA-N
XLogP2.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate (CID 142508516) is 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate is CC1(C(=O)OCC[Si](C)(C)C)CCC(O)CC1.
What is the InChIKey of 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate?
The InChIKey is FPFWSBUQFKSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(7-5-11(14)6-8-13)12(15)16-9-10-17(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate?
2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate has a molecular weight of 258.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 142508516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).