(4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid

C13H22O2 — CID 143769852

IUPAC(4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid
SMILESCC/C(C)=C\C=C(/C)CC(C)(C)C(=O)O
InChIInChI=1S/C13H22O2/c1-6-10(2)7-8-11(3)9-13(4,5)12(14)15/h7-8H,6,9H2,1-5H3,(H,14,15)/b10-7-,11-8+
InChIKeyCRLIGEJSGPJOOC-BDLVGCLISA-N
MW210.32 g/mol
LogP3.79
Rot. Bonds5

About (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid

(4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid (PubChem CID 143769852) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid.

Molecular Properties

Compound Name(4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid
PubChem CID143769852
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid
SMILESCC/C(C)=C\C=C(/C)CC(C)(C)C(=O)O
InChIInChI=1S/C13H22O2/c1-6-10(2)7-8-11(3)9-13(4,5)12(14)15/h7-8H,6,9H2,1-5H3,(H,14,15)/b10-7-,11-8+
InChIKeyCRLIGEJSGPJOOC-BDLVGCLISA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid?
The IUPAC name of (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid (CID 143769852) is (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid.
What is the SMILES notation for (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid?
The canonical SMILES for (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid is CC/C(C)=C\C=C(/C)CC(C)(C)C(=O)O.
What is the InChIKey of (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid?
The InChIKey is CRLIGEJSGPJOOC-BDLVGCLISA-N. The full InChI is InChI=1S/C13H22O2/c1-6-10(2)7-8-11(3)9-13(4,5)12(14)15/h7-8H,6,9H2,1-5H3,(H,14,15)/b10-7-,11-8+.
What are the key properties of (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid?
(4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2,2,4,7-tetramethylnona-4,6-dienoic acid is sourced from PubChem (CID 143769852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).