3-pent-4-enoxypropanoic acid

C8H14O3 — CID 10034873

IUPAC3-pent-4-enoxypropanoic acid
SMILESC=CCCCOCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-6-11-7-5-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKeyXKYRGJRMJVYKBV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.44
Rot. Bonds7

About 3-pent-4-enoxypropanoic acid

3-pent-4-enoxypropanoic acid (PubChem CID 10034873) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-pent-4-enoxypropanoic acid.

Molecular Properties

Compound Name3-pent-4-enoxypropanoic acid
PubChem CID10034873
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-pent-4-enoxypropanoic acid
SMILESC=CCCCOCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-6-11-7-5-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKeyXKYRGJRMJVYKBV-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.44
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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Related Compounds

4-but-3-enoxybutanoic acid
CID 10329531
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
ethyl 3-pent-4-enoxypropanoate
CID 79113239
2-methyl-5-pent-4-enoxypent-2-enoic acid
CID 90804613
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
2-carboxyethyl-bis(hydroxymethyl)-(2-oct-7-enoxyethyl)azanium
CID 101283333

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enoxypropanoic acid?
The IUPAC name of 3-pent-4-enoxypropanoic acid (CID 10034873) is 3-pent-4-enoxypropanoic acid.
What is the SMILES notation for 3-pent-4-enoxypropanoic acid?
The canonical SMILES for 3-pent-4-enoxypropanoic acid is C=CCCCOCCC(=O)O.
What is the InChIKey of 3-pent-4-enoxypropanoic acid?
The InChIKey is XKYRGJRMJVYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-6-11-7-5-8(9)10/h2H,1,3-7H2,(H,9,10).
What are the key properties of 3-pent-4-enoxypropanoic acid?
3-pent-4-enoxypropanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enoxypropanoic acid is sourced from PubChem (CID 10034873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).