(5E)-2,6,10-trimethylundeca-5,9-dienoic acid

C14H24O2 — CID 10036589

IUPAC(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
SMILESCC(C)=CCC/C(C)=C/CCC(C)C(=O)O
InChIInChI=1S/C14H24O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h7,9,13H,5-6,8,10H2,1-4H3,(H,15,16)/b12-9+
InChIKeyMDRALFOJDIJCHI-FMIVXFBMSA-N
MW224.34 g/mol
LogP4.18
Rot. Bonds7

About (5E)-2,6,10-trimethylundeca-5,9-dienoic acid

(5E)-2,6,10-trimethylundeca-5,9-dienoic acid (PubChem CID 10036589) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (5E)-2,6,10-trimethylundeca-5,9-dienoic acid.

Molecular Properties

Compound Name(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
PubChem CID10036589
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
SMILESCC(C)=CCC/C(C)=C/CCC(C)C(=O)O
InChIInChI=1S/C14H24O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h7,9,13H,5-6,8,10H2,1-4H3,(H,15,16)/b12-9+
InChIKeyMDRALFOJDIJCHI-FMIVXFBMSA-N
XLogP4.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839
(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid
CID 59229337
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521

Frequently Asked Questions

What is the IUPAC name of (5E)-2,6,10-trimethylundeca-5,9-dienoic acid?
The IUPAC name of (5E)-2,6,10-trimethylundeca-5,9-dienoic acid (CID 10036589) is (5E)-2,6,10-trimethylundeca-5,9-dienoic acid.
What is the SMILES notation for (5E)-2,6,10-trimethylundeca-5,9-dienoic acid?
The canonical SMILES for (5E)-2,6,10-trimethylundeca-5,9-dienoic acid is CC(C)=CCC/C(C)=C/CCC(C)C(=O)O.
What is the InChIKey of (5E)-2,6,10-trimethylundeca-5,9-dienoic acid?
The InChIKey is MDRALFOJDIJCHI-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h7,9,13H,5-6,8,10H2,1-4H3,(H,15,16)/b12-9+.
What are the key properties of (5E)-2,6,10-trimethylundeca-5,9-dienoic acid?
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid has a molecular weight of 224.34 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,6,10-trimethylundeca-5,9-dienoic acid is sourced from PubChem (CID 10036589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).