(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid

C8H10O3 — CID 143334790

IUPAC(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C=C(C(=O)O)\C(O)=C/C
InChIInChI=1S/C8H10O3/c1-3-5-6(8(10)11)7(9)4-2/h3-5,9H,1H2,2H3,(H,10,11)/b6-5+,7-4+
InChIKeyTXPZPKZYEHBXRH-HVUXDCMCSA-N
MW154.16 g/mol
LogP1.65
Rot. Bonds3

About (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid

(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid (PubChem CID 143334790) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
PubChem CID143334790
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C=C(C(=O)O)\C(O)=C/C
InChIInChI=1S/C8H10O3/c1-3-5-6(8(10)11)7(9)4-2/h3-5,9H,1H2,2H3,(H,10,11)/b6-5+,7-4+
InChIKeyTXPZPKZYEHBXRH-HVUXDCMCSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
CID 143594011
2-ethylidenepropanedioic acid
CID 15930801
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate
CID 144601913
(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
CID 143020297
(2E,3E)-3-anilino-2-ethylidenehexa-3,5-dienoic acid
CID 145172295
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
(2Z,3E)-2,3-bis[(E)-but-2-enylidene]butanedioic acid
CID 141155384
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid?
The IUPAC name of (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid (CID 143334790) is (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid.
What is the SMILES notation for (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid?
The canonical SMILES for (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid is C=C/C=C(C(=O)O)\C(O)=C/C.
What is the InChIKey of (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid?
The InChIKey is TXPZPKZYEHBXRH-HVUXDCMCSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-5-6(8(10)11)7(9)4-2/h3-5,9H,1H2,2H3,(H,10,11)/b6-5+,7-4+.
What are the key properties of (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid?
(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid has a molecular weight of 154.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid is sourced from PubChem (CID 143334790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).