2-cyclohexyl-2-diethylsilylbutanoic acid

C14H28O2Si — CID 150655220

IUPAC2-cyclohexyl-2-diethylsilylbutanoic acid
SMILESCC[SiH](CC)C(CC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-4-14(13(15)16,17(5-2)6-3)12-10-8-7-9-11-12/h12,17H,4-11H2,1-3H3,(H,15,16)
InChIKeyJCSBYYACFWFHJQ-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.07
Rot. Bonds6

About 2-cyclohexyl-2-diethylsilylbutanoic acid

2-cyclohexyl-2-diethylsilylbutanoic acid (PubChem CID 150655220) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-cyclohexyl-2-diethylsilylbutanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-diethylsilylbutanoic acid
PubChem CID150655220
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2-cyclohexyl-2-diethylsilylbutanoic acid
SMILESCC[SiH](CC)C(CC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-4-14(13(15)16,17(5-2)6-3)12-10-8-7-9-11-12/h12,17H,4-11H2,1-3H3,(H,15,16)
InChIKeyJCSBYYACFWFHJQ-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclohexyl-2-diethylsilylbutanoic acid?
The IUPAC name of 2-cyclohexyl-2-diethylsilylbutanoic acid (CID 150655220) is 2-cyclohexyl-2-diethylsilylbutanoic acid.
What is the SMILES notation for 2-cyclohexyl-2-diethylsilylbutanoic acid?
The canonical SMILES for 2-cyclohexyl-2-diethylsilylbutanoic acid is CC[SiH](CC)C(CC)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-diethylsilylbutanoic acid?
The InChIKey is JCSBYYACFWFHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-4-14(13(15)16,17(5-2)6-3)12-10-8-7-9-11-12/h12,17H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 2-cyclohexyl-2-diethylsilylbutanoic acid?
2-cyclohexyl-2-diethylsilylbutanoic acid has a molecular weight of 256.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-diethylsilylbutanoic acid is sourced from PubChem (CID 150655220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).