2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid

C15H30O4Si — CID 154476155

IUPAC2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid
SMILESCCC1CC(C)(O[Si](C)(C)C)CCC1(COC)C(=O)O
InChIInChI=1S/C15H30O4Si/c1-7-12-10-14(2,19-20(4,5)6)8-9-15(12,11-18-3)13(16)17/h12H,7-11H2,1-6H3,(H,16,17)
InChIKeyMWUVGRPNNRMXFY-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.52
Rot. Bonds6

About 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid

2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid (PubChem CID 154476155) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid
PubChem CID154476155
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid
SMILESCCC1CC(C)(O[Si](C)(C)C)CCC1(COC)C(=O)O
InChIInChI=1S/C15H30O4Si/c1-7-12-10-14(2,19-20(4,5)6)8-9-15(12,11-18-3)13(16)17/h12H,7-11H2,1-6H3,(H,16,17)
InChIKeyMWUVGRPNNRMXFY-UHFFFAOYSA-N
XLogP3.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.52
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-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid?
The IUPAC name of 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid (CID 154476155) is 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid is CCC1CC(C)(O[Si](C)(C)C)CCC1(COC)C(=O)O.
What is the InChIKey of 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid?
The InChIKey is MWUVGRPNNRMXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-12-10-14(2,19-20(4,5)6)8-9-15(12,11-18-3)13(16)17/h12H,7-11H2,1-6H3,(H,16,17).
What are the key properties of 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid?
2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid has a molecular weight of 302.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 154476155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).