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

C13H22O3 — CID 91303762

IUPAC2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
SMILESCOC(CC=C(C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C13H22O3/c1-10(2)6-5-7-11(3)8-9-12(16-4)13(14)15/h6,8,12H,5,7,9H2,1-4H3,(H,14,15)
InChIKeyPLUNFCRQXYDCKI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.17
Rot. Bonds7

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

2-methoxy-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 91303762) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID91303762
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
SMILESCOC(CC=C(C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C13H22O3/c1-10(2)6-5-7-11(3)8-9-12(16-4)13(14)15/h6,8,12H,5,7,9H2,1-4H3,(H,14,15)
InChIKeyPLUNFCRQXYDCKI-UHFFFAOYSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
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-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738
5,9,13-trimethyl-2-phosphonotetradeca-4,8,12-trienoic acid
CID 54211421
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
dimethyl 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]propanedioate
CID 10597387
(5E,9E)-1,1-dimethoxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 23466447
methyl (4Z)-2-acetyl-5,9-dimethyldeca-4,8-dienoate
CID 12742943
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 10518482
(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
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid (CID 91303762) is 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid is COC(CC=C(C)CCC=C(C)C)C(=O)O.
What is the InChIKey of 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is PLUNFCRQXYDCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10(2)6-5-7-11(3)8-9-12(16-4)13(14)15/h6,8,12H,5,7,9H2,1-4H3,(H,14,15).
What are the key properties of 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid?
2-methoxy-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 226.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 91303762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).