2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid

C14H24O3Si — CID 164665516

IUPAC2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid
SMILESCC#C/C(=C\COCC(=O)O)[Si](CC)(CC)CC
InChIInChI=1S/C14H24O3Si/c1-5-9-13(10-11-17-12-14(15)16)18(6-2,7-3)8-4/h10H,6-8,11-12H2,1-4H3,(H,15,16)/b13-10+
InChIKeyAFIVNDIXPZFVRC-JLHYYAGUSA-N
MW268.43 g/mol
LogP3.09
Rot. Bonds8

About 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid

2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid (PubChem CID 164665516) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid.

Molecular Properties

Compound Name2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid
PubChem CID164665516
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid
SMILESCC#C/C(=C\COCC(=O)O)[Si](CC)(CC)CC
InChIInChI=1S/C14H24O3Si/c1-5-9-13(10-11-17-12-14(15)16)18(6-2,7-3)8-4/h10H,6-8,11-12H2,1-4H3,(H,15,16)/b13-10+
InChIKeyAFIVNDIXPZFVRC-JLHYYAGUSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid?
The IUPAC name of 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid (CID 164665516) is 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid.
What is the SMILES notation for 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid?
The canonical SMILES for 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid is CC#C/C(=C\COCC(=O)O)[Si](CC)(CC)CC.
What is the InChIKey of 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid?
The InChIKey is AFIVNDIXPZFVRC-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-5-9-13(10-11-17-12-14(15)16)18(6-2,7-3)8-4/h10H,6-8,11-12H2,1-4H3,(H,15,16)/b13-10+.
What are the key properties of 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid?
2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid has a molecular weight of 268.43 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid is sourced from PubChem (CID 164665516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).