2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid

C7H10O3 — CID 171093400

IUPAC2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid
SMILESC=C/C=C(\C)OCC(=O)O
InChIInChI=1S/C7H10O3/c1-3-4-6(2)10-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4+
InChIKeyWZTMXNOOIGAKCQ-GQCTYLIASA-N
MW142.15 g/mol
LogP1.18
Rot. Bonds4

About 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid

2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid (PubChem CID 171093400) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid
PubChem CID171093400
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid
SMILESC=C/C=C(\C)OCC(=O)O
InChIInChI=1S/C7H10O3/c1-3-4-6(2)10-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4+
InChIKeyWZTMXNOOIGAKCQ-GQCTYLIASA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

bis(2-acetyloxyacetic acid);palladium
CID 156697217
2-[(3Z,5E,7Z)-4,6-dimethylnona-1,3,5,7-tetraen-5-yl]oxyacetic acid
CID 142823734
2-penta-2,4-dien-2-yloxyethanol
CID 123362544
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
CID 153456154
2-penta-1,3-dien-3-yloxyacetic acid
CID 91026141
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
3-[(2E)-penta-2,4-dien-2-yl]oxy-N-(1-prop-1-en-2-ylsulfanylethenyl)prop-1-en-2-amine
CID 134430715
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
(4E)-4-methyl-3-oxohepta-4,6-dienoic acid
CID 88512756
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
ethane;2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]oxyacetic acid
CID 170598218

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid?
The IUPAC name of 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid (CID 171093400) is 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid?
The canonical SMILES for 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid is C=C/C=C(\C)OCC(=O)O.
What is the InChIKey of 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid?
The InChIKey is WZTMXNOOIGAKCQ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H10O3/c1-3-4-6(2)10-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4+.
What are the key properties of 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid?
2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid has a molecular weight of 142.15 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid is sourced from PubChem (CID 171093400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).