(4E,6E)-8-methylnona-4,6-dienoic acid

C10H16O2 — CID 169444513

IUPAC(4E,6E)-8-methylnona-4,6-dienoic acid
SMILESCC(C)/C=C/C=C/CCC(=O)O
InChIInChI=1S/C10H16O2/c1-9(2)7-5-3-4-6-8-10(11)12/h3-5,7,9H,6,8H2,1-2H3,(H,11,12)/b4-3+,7-5+
InChIKeyVNLQZWJEEYUNNK-BDWKERMESA-N
MW168.24 g/mol
LogP2.62
Rot. Bonds5

About (4E,6E)-8-methylnona-4,6-dienoic acid

(4E,6E)-8-methylnona-4,6-dienoic acid (PubChem CID 169444513) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4E,6E)-8-methylnona-4,6-dienoic acid.

Molecular Properties

Compound Name(4E,6E)-8-methylnona-4,6-dienoic acid
PubChem CID169444513
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4E,6E)-8-methylnona-4,6-dienoic acid
SMILESCC(C)/C=C/C=C/CCC(=O)O
InChIInChI=1S/C10H16O2/c1-9(2)7-5-3-4-6-8-10(11)12/h3-5,7,9H,6,8H2,1-2H3,(H,11,12)/b4-3+,7-5+
InChIKeyVNLQZWJEEYUNNK-BDWKERMESA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-methylhept-4-enoic acid
CID 55298227
(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
CID 12988295
(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid
CID 20579712
8-oxoocta-4,6-dienoic acid
CID 71446452
11-methyldodec-9-enoic acid
CID 76621229
(4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921994
(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 11667680
(4Z,6E,10Z,12Z,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 25020398
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
(E)-7-methyl-6-oxooct-4-enoic acid
CID 176584292
docosa-4,6,8,10,13,16,19-heptaenoic acid
CID 72820613
(4E,6E,8E,10E,12E,17E)-docosa-4,6,8,10,12,17-hexaenoic acid
CID 153399699

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-8-methylnona-4,6-dienoic acid?
The IUPAC name of (4E,6E)-8-methylnona-4,6-dienoic acid (CID 169444513) is (4E,6E)-8-methylnona-4,6-dienoic acid.
What is the SMILES notation for (4E,6E)-8-methylnona-4,6-dienoic acid?
The canonical SMILES for (4E,6E)-8-methylnona-4,6-dienoic acid is CC(C)/C=C/C=C/CCC(=O)O.
What is the InChIKey of (4E,6E)-8-methylnona-4,6-dienoic acid?
The InChIKey is VNLQZWJEEYUNNK-BDWKERMESA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)7-5-3-4-6-8-10(11)12/h3-5,7,9H,6,8H2,1-2H3,(H,11,12)/b4-3+,7-5+.
What are the key properties of (4E,6E)-8-methylnona-4,6-dienoic acid?
(4E,6E)-8-methylnona-4,6-dienoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-8-methylnona-4,6-dienoic acid is sourced from PubChem (CID 169444513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).