3-hydroxyundeca-4,8-dienoic acid

C11H18O3 — CID 57374118

IUPAC3-hydroxyundeca-4,8-dienoic acid
SMILESCCC=CCCC=CC(O)CC(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,13,14)
InChIKeyPWSTXZUQCNAGLK-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.12
Rot. Bonds7

About 3-hydroxyundeca-4,8-dienoic acid

3-hydroxyundeca-4,8-dienoic acid (PubChem CID 57374118) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-hydroxyundeca-4,8-dienoic acid.

Molecular Properties

Compound Name3-hydroxyundeca-4,8-dienoic acid
PubChem CID57374118
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-hydroxyundeca-4,8-dienoic acid
SMILESCCC=CCCC=CC(O)CC(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,13,14)
InChIKeyPWSTXZUQCNAGLK-UHFFFAOYSA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-hydroxynon-4-enoic acid
CID 55277354
3-hydroxynon-6-enoic acid
CID 57374123
(3R)-3-hydroxyhex-4-enoic acid
CID 54147030
hept-4-enoic acid;hydrochloride
CID 143782457
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
4-hydroxynon-5-en-2-one
CID 71379683
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyundeca-4,8-dienoic acid?
The IUPAC name of 3-hydroxyundeca-4,8-dienoic acid (CID 57374118) is 3-hydroxyundeca-4,8-dienoic acid.
What is the SMILES notation for 3-hydroxyundeca-4,8-dienoic acid?
The canonical SMILES for 3-hydroxyundeca-4,8-dienoic acid is CCC=CCCC=CC(O)CC(=O)O.
What is the InChIKey of 3-hydroxyundeca-4,8-dienoic acid?
The InChIKey is PWSTXZUQCNAGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,13,14).
What are the key properties of 3-hydroxyundeca-4,8-dienoic acid?
3-hydroxyundeca-4,8-dienoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyundeca-4,8-dienoic acid is sourced from PubChem (CID 57374118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).