7,11-dimethyl-3-oxododeca-6,10-dienoic acid

C14H22O3 — CID 71333058

IUPAC7,11-dimethyl-3-oxododeca-6,10-dienoic acid
SMILESCC(C)=CCCC(C)=CCCC(=O)CC(=O)O
InChIInChI=1S/C14H22O3/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14(16)17/h6,8H,4-5,7,9-10H2,1-3H3,(H,16,17)
InChIKeyYABAMDRUVJTGON-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.50
Rot. Bonds8

About 7,11-dimethyl-3-oxododeca-6,10-dienoic acid

7,11-dimethyl-3-oxododeca-6,10-dienoic acid (PubChem CID 71333058) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 7,11-dimethyl-3-oxododeca-6,10-dienoic acid.

Molecular Properties

Compound Name7,11-dimethyl-3-oxododeca-6,10-dienoic acid
PubChem CID71333058
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name7,11-dimethyl-3-oxododeca-6,10-dienoic acid
SMILESCC(C)=CCCC(C)=CCCC(=O)CC(=O)O
InChIInChI=1S/C14H22O3/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14(16)17/h6,8H,4-5,7,9-10H2,1-3H3,(H,16,17)
InChIKeyYABAMDRUVJTGON-UHFFFAOYSA-N
XLogP3.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
ethyl 7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 54120364
ethyl (6E,10E)-7,11,15-trimethyl-3-oxohexadeca-6,10,14-trienoate
CID 10969697
ethyl (6Z)-7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11086708
(8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione
CID 88632702
(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
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(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 7,11-dimethyl-3-oxododeca-6,10-dienoic acid?
The IUPAC name of 7,11-dimethyl-3-oxododeca-6,10-dienoic acid (CID 71333058) is 7,11-dimethyl-3-oxododeca-6,10-dienoic acid.
What is the SMILES notation for 7,11-dimethyl-3-oxododeca-6,10-dienoic acid?
The canonical SMILES for 7,11-dimethyl-3-oxododeca-6,10-dienoic acid is CC(C)=CCCC(C)=CCCC(=O)CC(=O)O.
What is the InChIKey of 7,11-dimethyl-3-oxododeca-6,10-dienoic acid?
The InChIKey is YABAMDRUVJTGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14(16)17/h6,8H,4-5,7,9-10H2,1-3H3,(H,16,17).
What are the key properties of 7,11-dimethyl-3-oxododeca-6,10-dienoic acid?
7,11-dimethyl-3-oxododeca-6,10-dienoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethyl-3-oxododeca-6,10-dienoic acid is sourced from PubChem (CID 71333058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).