(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid

C18H28O3 — CID 16655283

IUPAC(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
SMILESCC(=O)CC/C=C(\C)CC/C=C(\CCC=C(C)C)C(=O)O
InChIInChI=1S/C18H28O3/c1-14(2)8-5-12-17(18(20)21)13-7-10-15(3)9-6-11-16(4)19/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/b15-9+,17-13+
InChIKeyQIMVLWYRLMXOML-YIEXHYBTSA-N
MW292.42 g/mol
LogP4.84
Rot. Bonds10

About (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid

(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid (PubChem CID 16655283) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid.

Molecular Properties

Compound Name(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
PubChem CID16655283
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
SMILESCC(=O)CC/C=C(\C)CC/C=C(\CCC=C(C)C)C(=O)O
InChIInChI=1S/C18H28O3/c1-14(2)8-5-12-17(18(20)21)13-7-10-15(3)9-6-11-16(4)19/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/b15-9+,17-13+
InChIKeyQIMVLWYRLMXOML-YIEXHYBTSA-N
XLogP4.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6Z)-2-[(3Z,7Z)-9-hydroxy-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-dienedioic acid
CID 163184467
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid?
The IUPAC name of (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid (CID 16655283) is (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid.
What is the SMILES notation for (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid?
The canonical SMILES for (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid is CC(=O)CC/C=C(\C)CC/C=C(\CCC=C(C)C)C(=O)O.
What is the InChIKey of (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid?
The InChIKey is QIMVLWYRLMXOML-YIEXHYBTSA-N. The full InChI is InChI=1S/C18H28O3/c1-14(2)8-5-12-17(18(20)21)13-7-10-15(3)9-6-11-16(4)19/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/b15-9+,17-13+.
What are the key properties of (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid?
(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid has a molecular weight of 292.42 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid is sourced from PubChem (CID 16655283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).