3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid

C11H22O4Si — CID 89052342

IUPAC3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid
SMILESCCC(CC)(CC(=O)O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-11(7-2,8-9(12)13)10(14)15-16(3,4)5/h6-8H2,1-5H3,(H,12,13)
InChIKeyKLENKDODHLTAQO-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.65
Rot. Bonds6

About 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid

3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid (PubChem CID 89052342) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid
PubChem CID89052342
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid
SMILESCCC(CC)(CC(=O)O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-11(7-2,8-9(12)13)10(14)15-16(3,4)5/h6-8H2,1-5H3,(H,12,13)
InChIKeyKLENKDODHLTAQO-UHFFFAOYSA-N
XLogP2.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid?
The IUPAC name of 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid (CID 89052342) is 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid.
What is the SMILES notation for 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid?
The canonical SMILES for 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid is CCC(CC)(CC(=O)O)C(=O)O[Si](C)(C)C.
What is the InChIKey of 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid?
The InChIKey is KLENKDODHLTAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-6-11(7-2,8-9(12)13)10(14)15-16(3,4)5/h6-8H2,1-5H3,(H,12,13).
What are the key properties of 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid?
3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid has a molecular weight of 246.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-trimethylsilyloxycarbonylpentanoic acid is sourced from PubChem (CID 89052342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).