2-pent-4-enoxyacetic acid

C7H12O3 — CID 10240922

IUPAC2-pent-4-enoxyacetic acid
SMILESC=CCCCOCC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-4-5-10-6-7(8)9/h2H,1,3-6H2,(H,8,9)
InChIKeyZMELTMCQODEEOK-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.05
Rot. Bonds6

About 2-pent-4-enoxyacetic acid

2-pent-4-enoxyacetic acid (PubChem CID 10240922) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-pent-4-enoxyacetic acid.

Molecular Properties

Compound Name2-pent-4-enoxyacetic acid
PubChem CID10240922
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-pent-4-enoxyacetic acid
SMILESC=CCCCOCC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-4-5-10-6-7(8)9/h2H,1,3-6H2,(H,8,9)
InChIKeyZMELTMCQODEEOK-UHFFFAOYSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enoxyacetic acid?
The IUPAC name of 2-pent-4-enoxyacetic acid (CID 10240922) is 2-pent-4-enoxyacetic acid.
What is the SMILES notation for 2-pent-4-enoxyacetic acid?
The canonical SMILES for 2-pent-4-enoxyacetic acid is C=CCCCOCC(=O)O.
What is the InChIKey of 2-pent-4-enoxyacetic acid?
The InChIKey is ZMELTMCQODEEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-3-4-5-10-6-7(8)9/h2H,1,3-6H2,(H,8,9).
What are the key properties of 2-pent-4-enoxyacetic acid?
2-pent-4-enoxyacetic acid has a molecular weight of 144.17 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoxyacetic acid is sourced from PubChem (CID 10240922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).