(3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid

C11H14O3 — CID 143156013

IUPAC(3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid
SMILESC=C/C=C(\C=C/C=C\C)C(O)C(=O)O
InChIInChI=1S/C11H14O3/c1-3-5-6-8-9(7-4-2)10(12)11(13)14/h3-8,10,12H,2H2,1H3,(H,13,14)/b5-3-,8-6-,9-7+
InChIKeyYHBDCJHCWSXOKN-HLWRZVAVSA-N
MW194.23 g/mol
LogP1.68
Rot. Bonds5

About (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid

(3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid (PubChem CID 143156013) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid.

Molecular Properties

Compound Name(3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid
PubChem CID143156013
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid
SMILESC=C/C=C(\C=C/C=C\C)C(O)C(=O)O
InChIInChI=1S/C11H14O3/c1-3-5-6-8-9(7-4-2)10(12)11(13)14/h3-8,10,12H,2H2,1H3,(H,13,14)/b5-3-,8-6-,9-7+
InChIKeyYHBDCJHCWSXOKN-HLWRZVAVSA-N
XLogP1.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid?
The IUPAC name of (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid (CID 143156013) is (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid.
What is the SMILES notation for (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid?
The canonical SMILES for (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid is C=C/C=C(\C=C/C=C\C)C(O)C(=O)O.
What is the InChIKey of (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid?
The InChIKey is YHBDCJHCWSXOKN-HLWRZVAVSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-5-6-8-9(7-4-2)10(12)11(13)14/h3-8,10,12H,2H2,1H3,(H,13,14)/b5-3-,8-6-,9-7+.
What are the key properties of (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid?
(3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid is sourced from PubChem (CID 143156013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).