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

C15H30O3Si — CID 66741822

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-7-15(13(16)17)10-8-12(9-11-15)18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3,(H,16,17)
InChIKeyCTPOJXMCBNSGKH-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.43
Rot. Bonds4

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

4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid (PubChem CID 66741822) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid
PubChem CID66741822
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-7-15(13(16)17)10-8-12(9-11-15)18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3,(H,16,17)
InChIKeyCTPOJXMCBNSGKH-UHFFFAOYSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid (CID 66741822) is 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid is CCC1(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-ethylcyclohexane-1-carboxylic acid?
The InChIKey is CTPOJXMCBNSGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-15(13(16)17)10-8-12(9-11-15)18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3,(H,16,17).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid has a molecular weight of 286.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66741822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).