5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid

C17H30O2 — CID 91406670

IUPAC5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid
SMILESCC(C)=CCC(=CCC(C)CCCC(=O)O)C(C)C
InChIInChI=1S/C17H30O2/c1-13(2)9-11-16(14(3)4)12-10-15(5)7-6-8-17(18)19/h9,12,14-15H,6-8,10-11H2,1-5H3,(H,18,19)
InChIKeyWBLZAABGIQUTNJ-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.21
Rot. Bonds9

About 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid

5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid (PubChem CID 91406670) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid.

Molecular Properties

Compound Name5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid
PubChem CID91406670
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid
SMILESCC(C)=CCC(=CCC(C)CCCC(=O)O)C(C)C
InChIInChI=1S/C17H30O2/c1-13(2)9-11-16(14(3)4)12-10-15(5)7-6-8-17(18)19/h9,12,14-15H,6-8,10-11H2,1-5H3,(H,18,19)
InChIKeyWBLZAABGIQUTNJ-UHFFFAOYSA-N
XLogP5.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol
CID 71401589
[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate
CID 11108311
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
19-methylheptatriacontanedioic acid
CID 141009772
acetic acid;5,7,7-trimethyloctanoic acid
CID 162192888
6,7-dimethyloct-5-enoic acid
CID 162716838
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
6-cyclopentyl-5-methylhexanoic acid
CID 70074229
8,8,8-trifluoro-5-methyloctanoic acid
CID 87995359
5,9-dimethyl-6-oxodeca-4,8-dienoic acid
CID 163192593
6-methylnon-8-en-2-one
CID 87772414
5-(6-methylhept-5-en-2-yloxy)-5-oxopentanoic acid
CID 86071401

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid?
The IUPAC name of 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid (CID 91406670) is 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid.
What is the SMILES notation for 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid?
The canonical SMILES for 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid is CC(C)=CCC(=CCC(C)CCCC(=O)O)C(C)C.
What is the InChIKey of 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid?
The InChIKey is WBLZAABGIQUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-13(2)9-11-16(14(3)4)12-10-15(5)7-6-8-17(18)19/h9,12,14-15H,6-8,10-11H2,1-5H3,(H,18,19).
What are the key properties of 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid?
5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid has a molecular weight of 266.42 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid is sourced from PubChem (CID 91406670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).