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

C13H26O4Si — CID 58291968

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(4,5)17-10-6-8-13(16,9-7-10)11(14)15/h10,16H,6-9H2,1-5H3,(H,14,15)
InChIKeyVMMAHJDRFPRSKZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.77
Rot. Bonds3

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

4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid (PubChem CID 58291968) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
PubChem CID58291968
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(4,5)17-10-6-8-13(16,9-7-10)11(14)15/h10,16H,6-9H2,1-5H3,(H,14,15)
InChIKeyVMMAHJDRFPRSKZ-UHFFFAOYSA-N
XLogP2.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
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 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid (CID 58291968) is 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is VMMAHJDRFPRSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-12(2,3)18(4,5)17-10-6-8-13(16,9-7-10)11(14)15/h10,16H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 274.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 58291968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).