4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid

C15H30O4Si — CID 67087711

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(5,6)19-12-7-9-15(10-8-12,11-18-4)13(16)17/h12H,7-11H2,1-6H3,(H,16,17)
InChIKeyYZEDPBQRZOFPRQ-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.67
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid

4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid (PubChem CID 67087711) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid
PubChem CID67087711
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(5,6)19-12-7-9-15(10-8-12,11-18-4)13(16)17/h12H,7-11H2,1-6H3,(H,16,17)
InChIKeyYZEDPBQRZOFPRQ-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid (CID 67087711) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid is COCC1(C(=O)O)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid?
The InChIKey is YZEDPBQRZOFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)20(5,6)19-12-7-9-15(10-8-12,11-18-4)13(16)17/h12H,7-11H2,1-6H3,(H,16,17).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid has a molecular weight of 302.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67087711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).