(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid

C22H36O2 — CID 172767387

IUPAC(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
SMILESCCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)O
InChIInChI=1S/C22H36O2/c1-6-10-18(2)11-7-12-19(3)13-8-14-20(4)15-9-16-21(5)17-22(23)24/h11,13,15,17H,6-10,12,14,16H2,1-5H3,(H,23,24)/b18-11+,19-13+,20-15+,21-17+
InChIKeyMMOCFWITAHFMEU-GAEFVFTDSA-N
MW332.53 g/mol
LogP7.00
Rot. Bonds12

About (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid

(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid (PubChem CID 172767387) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid.

Molecular Properties

Compound Name(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
PubChem CID172767387
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
SMILESCCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)O
InChIInChI=1S/C22H36O2/c1-6-10-18(2)11-7-12-19(3)13-8-14-20(4)15-9-16-21(5)17-22(23)24/h11,13,15,17H,6-10,12,14,16H2,1-5H3,(H,23,24)/b18-11+,19-13+,20-15+,21-17+
InChIKeyMMOCFWITAHFMEU-GAEFVFTDSA-N
XLogP7.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid with MolForge

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Related Compounds

(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
3,7,11-trimethyl-10-oxododeca-2,6,11-trienoic acid
CID 54551052
10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
CID 162814763
3,7,11-trimethyldodeca-2,6,10-trienal;3,7,11-trimethyldodeca-2,6,10-trienoic acid
CID 175832885
(2Z,6Z)-3,7,11-trimethyldocosa-2,6-dienoic acid
CID 131839736
4,8-dimethylnona-3,7-dienoic acid;(2E)-3,7-dimethylocta-2,6-dienoic acid
CID 160780461
(2E,6Z)-2-[(3Z,7Z)-9-hydroxy-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-dienedioic acid
CID 163184467
(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 15825764
(2Z,6E,10R)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 156580639
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid?
The IUPAC name of (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid (CID 172767387) is (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid.
What is the SMILES notation for (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid?
The canonical SMILES for (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid is CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)O.
What is the InChIKey of (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid?
The InChIKey is MMOCFWITAHFMEU-GAEFVFTDSA-N. The full InChI is InChI=1S/C22H36O2/c1-6-10-18(2)11-7-12-19(3)13-8-14-20(4)15-9-16-21(5)17-22(23)24/h11,13,15,17H,6-10,12,14,16H2,1-5H3,(H,23,24)/b18-11+,19-13+,20-15+,21-17+.
What are the key properties of (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid?
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid has a molecular weight of 332.53 g/mol, XLogP of 7.00, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid is sourced from PubChem (CID 172767387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).