hexa-2,4-dienoic acid;prop-1-ene

C9H14O2 — CID 158512796

IUPAChexa-2,4-dienoic acid;prop-1-ene
SMILESC=CC.CC=CC=CC(=O)O
InChIInChI=1S/C6H8O2.C3H6/c1-2-3-4-5-6(7)8;1-3-2/h2-5H,1H3,(H,7,8);3H,1H2,2H3
InChIKeyHLGNGULXYNYWHO-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.40
Rot. Bonds2

About hexa-2,4-dienoic acid;prop-1-ene

hexa-2,4-dienoic acid;prop-1-ene (PubChem CID 158512796) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is hexa-2,4-dienoic acid;prop-1-ene.

Molecular Properties

Compound Namehexa-2,4-dienoic acid;prop-1-ene
PubChem CID158512796
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namehexa-2,4-dienoic acid;prop-1-ene
SMILESC=CC.CC=CC=CC(=O)O
InChIInChI=1S/C6H8O2.C3H6/c1-2-3-4-5-6(7)8;1-3-2/h2-5H,1H3,(H,7,8);3H,1H2,2H3
InChIKeyHLGNGULXYNYWHO-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

buta-1,3-diene;hexa-2,4-dienoic acid
CID 88763418
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
(2E,4E)-hexa-2,4-dienoic acid;(3E)-penta-1,3-diene
CID 158184372
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
hexa-2,4-dienoic acid;sulfane
CID 173071228
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
calcium;bis((2E,4E)-hexa-2,4-dienoic acid);hydride
CID 173392537
calcium;hexa-2,4-dienoic acid;hydride
CID 172999135
strontium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173012904
benzene;hexa-2,4-dienoic acid
CID 173310837

Frequently Asked Questions

What is the IUPAC name of hexa-2,4-dienoic acid;prop-1-ene?
The IUPAC name of hexa-2,4-dienoic acid;prop-1-ene (CID 158512796) is hexa-2,4-dienoic acid;prop-1-ene.
What is the SMILES notation for hexa-2,4-dienoic acid;prop-1-ene?
The canonical SMILES for hexa-2,4-dienoic acid;prop-1-ene is C=CC.CC=CC=CC(=O)O.
What is the InChIKey of hexa-2,4-dienoic acid;prop-1-ene?
The InChIKey is HLGNGULXYNYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C3H6/c1-2-3-4-5-6(7)8;1-3-2/h2-5H,1H3,(H,7,8);3H,1H2,2H3.
What are the key properties of hexa-2,4-dienoic acid;prop-1-ene?
hexa-2,4-dienoic acid;prop-1-ene has a molecular weight of 154.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-dienoic acid;prop-1-ene is sourced from PubChem (CID 158512796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).