6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid

C18H28O2 — CID 88635558

IUPAC6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CC=CCC(=O)O
InChIInChI=1S/C18H28O2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19)20/h5-6,9-10,13H,7-8,11-12,14H2,1-4H3,(H,19,20)
InChIKeyAOGCJNKODVEQDF-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.44
Rot. Bonds9

About 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid

6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid (PubChem CID 88635558) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid.

Molecular Properties

Compound Name6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid
PubChem CID88635558
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CC=CCC(=O)O
InChIInChI=1S/C18H28O2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19)20/h5-6,9-10,13H,7-8,11-12,14H2,1-4H3,(H,19,20)
InChIKeyAOGCJNKODVEQDF-UHFFFAOYSA-N
XLogP5.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
CID 54479411
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
CID 173093653
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(2E,4E,6E,10E)-7,11,15-trimethyl-3-(111C)methylhexadeca-2,4,6,10,14-pentaenoic acid
CID 170653107
(10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 162342692
(2E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 173398682
7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid
CID 54030979
(4E,6E,10E)-7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid
CID 19382818
ethyl 5,9,13-trimethyltetradeca-2,4,8,12-tetraenoate
CID 54454310
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
(2Z,4E,6E,10E)-7,11,15-trimethylhexadeca-2,4,6,10,14-pentaen-1-ol
CID 168749339

Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid?
The IUPAC name of 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid (CID 88635558) is 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid.
What is the SMILES notation for 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid?
The canonical SMILES for 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid is CC(C)=CCCC(C)=CCCC(C)=CC=CCC(=O)O.
What is the InChIKey of 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid?
The InChIKey is AOGCJNKODVEQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19)20/h5-6,9-10,13H,7-8,11-12,14H2,1-4H3,(H,19,20).
What are the key properties of 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid?
6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid has a molecular weight of 276.42 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid is sourced from PubChem (CID 88635558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).