1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid

C14H28O4Si — CID 86695198

IUPAC1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(OCOCC[Si](C)(C)C)CC1
InChIInChI=1S/C14H28O4Si/c1-14(13(15)16)7-5-12(6-8-14)18-11-17-9-10-19(2,3)4/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyWFTPBNURHDAJHI-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.35
Rot. Bonds7

About 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid

1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid (PubChem CID 86695198) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid
PubChem CID86695198
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(OCOCC[Si](C)(C)C)CC1
InChIInChI=1S/C14H28O4Si/c1-14(13(15)16)7-5-12(6-8-14)18-11-17-9-10-19(2,3)4/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyWFTPBNURHDAJHI-UHFFFAOYSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid (CID 86695198) is 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid is CC1(C(=O)O)CCC(OCOCC[Si](C)(C)C)CC1.
What is the InChIKey of 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is WFTPBNURHDAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(13(15)16)7-5-12(6-8-14)18-11-17-9-10-19(2,3)4/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid?
1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 288.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 86695198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).