(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid

C18H30O2 — CID 11076782

IUPAC(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC(=O)O
InChIInChI=1S/C18H30O2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19)20/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,19,20)/b16-10+,17-13+
InChIKeyPEFRSINZRLUBKR-QKXOVSGLSA-N
MW278.44 g/mol
LogP5.66
Rot. Bonds10

About (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid

(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid (PubChem CID 11076782) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid.

Molecular Properties

Compound Name(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
PubChem CID11076782
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC(=O)O
InChIInChI=1S/C18H30O2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19)20/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,19,20)/b16-10+,17-13+
InChIKeyPEFRSINZRLUBKR-QKXOVSGLSA-N
XLogP5.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
heptanoic acid;2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174641388
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
4-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)butanoic acid
CID 91124399
7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058
5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-oxopentanoic acid
CID 87993792
(2E)-3,7-dimethylocta-2,6-dien-1-ol;docosanoic acid
CID 175327394
(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
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid?
The IUPAC name of (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid (CID 11076782) is (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid.
What is the SMILES notation for (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid?
The canonical SMILES for (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC(=O)O.
What is the InChIKey of (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid?
The InChIKey is PEFRSINZRLUBKR-QKXOVSGLSA-N. The full InChI is InChI=1S/C18H30O2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19)20/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,19,20)/b16-10+,17-13+.
What are the key properties of (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid?
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid has a molecular weight of 278.44 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid is sourced from PubChem (CID 11076782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).