(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid

C24H40O4 — CID 174495173

IUPAC(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid
SMILESC=CC(C)(CCC=C(C)C)CC(=O)O.CC(C)=CCC/C(C)=C/CCC(=O)O
InChIInChI=1S/2C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14;1-5-12(4,9-11(13)14)8-6-7-10(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,13,14);5,7H,1,6,8-9H2,2-4H3,(H,13,14)/b11-8+;
InChIKeyZPHGPVOQUDSPMK-YGCVIUNWSA-N
MW392.58 g/mol
LogP6.94
Rot. Bonds12

About (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid

(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid (PubChem CID 174495173) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid.

Molecular Properties

Compound Name(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid
PubChem CID174495173
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Name(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid
SMILESC=CC(C)(CCC=C(C)C)CC(=O)O.CC(C)=CCC/C(C)=C/CCC(=O)O
InChIInChI=1S/2C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14;1-5-12(4,9-11(13)14)8-6-7-10(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,13,14);5,7H,1,6,8-9H2,2-4H3,(H,13,14)/b11-8+;
InChIKeyZPHGPVOQUDSPMK-YGCVIUNWSA-N
XLogP6.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid with MolForge

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Related Compounds

(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one
CID 162961639
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
5-ethenyl-3,5,9-trimethyldec-8-enoic acid
CID 87972506
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 25021984
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 5363453
6-ethenyl-2,6-dimethyl-8-methylidenedec-2-ene
CID 154718981
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid
CID 176897325
(E)-5-methylhept-4-enoic acid
CID 83694352
7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058

Frequently Asked Questions

What is the IUPAC name of (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid?
The IUPAC name of (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid (CID 174495173) is (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid.
What is the SMILES notation for (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid?
The canonical SMILES for (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid is C=CC(C)(CCC=C(C)C)CC(=O)O.CC(C)=CCC/C(C)=C/CCC(=O)O.
What is the InChIKey of (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid?
The InChIKey is ZPHGPVOQUDSPMK-YGCVIUNWSA-N. The full InChI is InChI=1S/2C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14;1-5-12(4,9-11(13)14)8-6-7-10(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,13,14);5,7H,1,6,8-9H2,2-4H3,(H,13,14)/b11-8+;.
What are the key properties of (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid?
(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid has a molecular weight of 392.58 g/mol, XLogP of 6.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid is sourced from PubChem (CID 174495173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).