2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid

C14H28O3Si — CID 22465467

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-12(13(15)16)11-9-7-6-8-10-11/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyGJCBMERHXFYLEA-UHFFFAOYSA-N
MW272.46 g/mol
LogP4.04
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid

2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid (PubChem CID 22465467) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid
PubChem CID22465467
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-12(13(15)16)11-9-7-6-8-10-11/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyGJCBMERHXFYLEA-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.04
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 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid (CID 22465467) is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid is CC(C)(C)[Si](C)(C)OC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid?
The InChIKey is GJCBMERHXFYLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-12(13(15)16)11-9-7-6-8-10-11/h11-12H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid?
2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid has a molecular weight of 272.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid is sourced from PubChem (CID 22465467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).