(7E)-4-hydroxyundeca-7,10-dienoic acid

C11H18O3 — CID 13148487

IUPAC(7E)-4-hydroxyundeca-7,10-dienoic acid
SMILESC=CC/C=C/CCC(O)CCC(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h2,4-5,10,12H,1,3,6-9H2,(H,13,14)/b5-4+
InChIKeyZDMVHHGKMWXUEI-SNAWJCMRSA-N
MW198.26 g/mol
LogP2.12
Rot. Bonds8

About (7E)-4-hydroxyundeca-7,10-dienoic acid

(7E)-4-hydroxyundeca-7,10-dienoic acid (PubChem CID 13148487) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (7E)-4-hydroxyundeca-7,10-dienoic acid.

Molecular Properties

Compound Name(7E)-4-hydroxyundeca-7,10-dienoic acid
PubChem CID13148487
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(7E)-4-hydroxyundeca-7,10-dienoic acid
SMILESC=CC/C=C/CCC(O)CCC(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h2,4-5,10,12H,1,3,6-9H2,(H,13,14)/b5-4+
InChIKeyZDMVHHGKMWXUEI-SNAWJCMRSA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxydodec-11-enoic acid
CID 139805445
(Z)-4-hydroxyoctadec-7-enoic acid
CID 139805456
trideca-9,12-dienoic acid
CID 140680246
4,7,10-trihydroxytridecanedioic acid
CID 174508120
4-hydroxytricosa-8,11,14,17-tetraenoic acid
CID 72505843
(12R)-12-hydroxyicosa-5,8-dienoic acid
CID 91607129
(5R)-5-hydroxydec-9-enoic acid
CID 97184595
4-hydroxydocosa-9,13-dienoic acid
CID 139805405
3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid
CID 101284182
(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid
CID 10268093
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
azane;2-hexa-2,5-dienylbutanedioic acid
CID 175554950

Frequently Asked Questions

What is the IUPAC name of (7E)-4-hydroxyundeca-7,10-dienoic acid?
The IUPAC name of (7E)-4-hydroxyundeca-7,10-dienoic acid (CID 13148487) is (7E)-4-hydroxyundeca-7,10-dienoic acid.
What is the SMILES notation for (7E)-4-hydroxyundeca-7,10-dienoic acid?
The canonical SMILES for (7E)-4-hydroxyundeca-7,10-dienoic acid is C=CC/C=C/CCC(O)CCC(=O)O.
What is the InChIKey of (7E)-4-hydroxyundeca-7,10-dienoic acid?
The InChIKey is ZDMVHHGKMWXUEI-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h2,4-5,10,12H,1,3,6-9H2,(H,13,14)/b5-4+.
What are the key properties of (7E)-4-hydroxyundeca-7,10-dienoic acid?
(7E)-4-hydroxyundeca-7,10-dienoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-4-hydroxyundeca-7,10-dienoic acid is sourced from PubChem (CID 13148487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).