2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid

C12H20O3 — CID 173203738

IUPAC2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCCC(C)=CCC(O)C(=O)O
InChIInChI=1S/C12H20O3/c1-9(2)5-4-6-10(3)7-8-11(13)12(14)15/h5,7,11,13H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyXXXDDLUBOIEPMP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.51
Rot. Bonds6

About 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid

2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 173203738) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID173203738
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCCC(C)=CCC(O)C(=O)O
InChIInChI=1S/C12H20O3/c1-9(2)5-4-6-10(3)7-8-11(13)12(14)15/h5,7,11,13H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyXXXDDLUBOIEPMP-UHFFFAOYSA-N
XLogP2.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.51
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

(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
CID 91303762
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
5,9,13-trimethyl-2-phosphonotetradeca-4,8,12-trienoic acid
CID 54211421
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(5E)-6,10-dimethyl-3-sulfanylundeca-5,9-dienoic acid
CID 88700602
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
5,9,13-trimethyl-2-(phosphonomethyl)tetradeca-4,8,12-trienoic acid
CID 54543904
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid
CID 23216777
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid (CID 173203738) is 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCCC(C)=CCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is XXXDDLUBOIEPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(2)5-4-6-10(3)7-8-11(13)12(14)15/h5,7,11,13H,4,6,8H2,1-3H3,(H,14,15).
What are the key properties of 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid?
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 173203738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).