4-hydroxyundeca-5,6-dien-8,10-diynoic acid

C11H10O3 — CID 3035283

IUPAC4-hydroxyundeca-5,6-dien-8,10-diynoic acid
SMILESC#CC#CC=C=CC(O)CCC(=O)O
InChIInChI=1S/C11H10O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h1,5,7,10,12H,8-9H2,(H,13,14)
InChIKeyDOCWUDHOAPAYAN-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.56
Rot. Bonds4

About 4-hydroxyundeca-5,6-dien-8,10-diynoic acid

4-hydroxyundeca-5,6-dien-8,10-diynoic acid (PubChem CID 3035283) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-hydroxyundeca-5,6-dien-8,10-diynoic acid.

Molecular Properties

Compound Name4-hydroxyundeca-5,6-dien-8,10-diynoic acid
PubChem CID3035283
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-hydroxyundeca-5,6-dien-8,10-diynoic acid
SMILESC#CC#CC=C=CC(O)CCC(=O)O
InChIInChI=1S/C11H10O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h1,5,7,10,12H,8-9H2,(H,13,14)
InChIKeyDOCWUDHOAPAYAN-UHFFFAOYSA-N
XLogP0.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid
CID 10443368
(3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid
CID 5461007
4-hydroxyhept-6-ynoic acid
CID 55299360
4-methylhex-5-ynoic acid
CID 54051986
4,7,10-trihydroxytridecanedioic acid
CID 174508120
4-prop-2-ynoyloxybutanoic acid
CID 138460140
5,5-dihydroxypentanoic acid
CID 57194054
4-chloro-4-hydroxybutanoic acid
CID 87098344
deca-7,9-diynoic acid
CID 23238817
tris(2-carboxyethyl)-hydroxyphosphanium
CID 87704459
4,5,6,7,8-pentahydroxyoctanoic acid
CID 87558664
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyundeca-5,6-dien-8,10-diynoic acid?
The IUPAC name of 4-hydroxyundeca-5,6-dien-8,10-diynoic acid (CID 3035283) is 4-hydroxyundeca-5,6-dien-8,10-diynoic acid.
What is the SMILES notation for 4-hydroxyundeca-5,6-dien-8,10-diynoic acid?
The canonical SMILES for 4-hydroxyundeca-5,6-dien-8,10-diynoic acid is C#CC#CC=C=CC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxyundeca-5,6-dien-8,10-diynoic acid?
The InChIKey is DOCWUDHOAPAYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h1,5,7,10,12H,8-9H2,(H,13,14).
What are the key properties of 4-hydroxyundeca-5,6-dien-8,10-diynoic acid?
4-hydroxyundeca-5,6-dien-8,10-diynoic acid has a molecular weight of 190.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyundeca-5,6-dien-8,10-diynoic acid is sourced from PubChem (CID 3035283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).