(2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid

C10H14O3 — CID 118554004

IUPAC(2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid
SMILESC=C/C(=C\C=C/C)C[C@H](O)C(=O)O
InChIInChI=1S/C10H14O3/c1-3-5-6-8(4-2)7-9(11)10(12)13/h3-6,9,11H,2,7H2,1H3,(H,12,13)/b5-3-,8-6+/t9-/m0/s1
InChIKeyRKONHCNSICPAPW-GPWFVFBPSA-N
MW182.22 g/mol
LogP1.51
Rot. Bonds5

About (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid

(2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid (PubChem CID 118554004) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid.

Molecular Properties

Compound Name(2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid
PubChem CID118554004
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid
SMILESC=C/C(=C\C=C/C)C[C@H](O)C(=O)O
InChIInChI=1S/C10H14O3/c1-3-5-6-8(4-2)7-9(11)10(12)13/h3-6,9,11H,2,7H2,1H3,(H,12,13)/b5-3-,8-6+/t9-/m0/s1
InChIKeyRKONHCNSICPAPW-GPWFVFBPSA-N
XLogP1.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.51
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 (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid?
The IUPAC name of (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid (CID 118554004) is (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid.
What is the SMILES notation for (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid?
The canonical SMILES for (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid is C=C/C(=C\C=C/C)C[C@H](O)C(=O)O.
What is the InChIKey of (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid?
The InChIKey is RKONHCNSICPAPW-GPWFVFBPSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-6-8(4-2)7-9(11)10(12)13/h3-6,9,11H,2,7H2,1H3,(H,12,13)/b5-3-,8-6+/t9-/m0/s1.
What are the key properties of (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid?
(2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid is sourced from PubChem (CID 118554004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).