4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid

C17H34O3Si — CID 132534237

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C17H34O3Si/c1-17(2,3)21(4,5)20-12-11-15(16(18)19)13-14-9-7-6-8-10-14/h14-15H,6-13H2,1-5H3,(H,18,19)
InChIKeyJHUWYASFSULZHQ-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.07
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid (PubChem CID 132534237) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid
PubChem CID132534237
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C17H34O3Si/c1-17(2,3)21(4,5)20-12-11-15(16(18)19)13-14-9-7-6-8-10-14/h14-15H,6-13H2,1-5H3,(H,18,19)
InChIKeyJHUWYASFSULZHQ-UHFFFAOYSA-N
XLogP5.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.07
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-2-(cyclohexylmethyl)butanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid (CID 132534237) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid is CC(C)(C)[Si](C)(C)OCCC(CC1CCCCC1)C(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid?
The InChIKey is JHUWYASFSULZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-17(2,3)21(4,5)20-12-11-15(16(18)19)13-14-9-7-6-8-10-14/h14-15H,6-13H2,1-5H3,(H,18,19).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid has a molecular weight of 314.54 g/mol, XLogP of 5.07, 7 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-2-(cyclohexylmethyl)butanoic acid is sourced from PubChem (CID 132534237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).