(6Z)-3,6-diethylnona-4,6-dienoic acid

C13H22O2 — CID 143337059

IUPAC(6Z)-3,6-diethylnona-4,6-dienoic acid
SMILESCC/C=C(\C=CC(CC)CC(=O)O)CC
InChIInChI=1S/C13H22O2/c1-4-7-11(5-2)8-9-12(6-3)10-13(14)15/h7-9,12H,4-6,10H2,1-3H3,(H,14,15)/b9-8?,11-7-
InChIKeyQOQIZWIJTHSTBT-JWKBBABASA-N
MW210.32 g/mol
LogP3.79
Rot. Bonds7

About (6Z)-3,6-diethylnona-4,6-dienoic acid

(6Z)-3,6-diethylnona-4,6-dienoic acid (PubChem CID 143337059) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (6Z)-3,6-diethylnona-4,6-dienoic acid.

Molecular Properties

Compound Name(6Z)-3,6-diethylnona-4,6-dienoic acid
PubChem CID143337059
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(6Z)-3,6-diethylnona-4,6-dienoic acid
SMILESCC/C=C(\C=CC(CC)CC(=O)O)CC
InChIInChI=1S/C13H22O2/c1-4-7-11(5-2)8-9-12(6-3)10-13(14)15/h7-9,12H,4-6,10H2,1-3H3,(H,14,15)/b9-8?,11-7-
InChIKeyQOQIZWIJTHSTBT-JWKBBABASA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

(E)-4-ethylhex-2-enoic acid;methane
CID 159220679
(E)-5-ethylhept-3-en-2-one
CID 5463478
(2E,4E)-4-ethyl-2-methylhepta-2,4-dienoic acid
CID 11309745
3-hydroxypentanoic acid;methanol
CID 174973747
ethane;(4Z,6E)-6-ethylnona-1,4,6-triene
CID 143827979
ethane;(Z,3Z)-3-propylidenehept-4-enoic acid
CID 143337053
2-propylidenehept-3-ene-1,5-diol
CID 57275472
4-propylidenehepta-2,5-dienedioic acid
CID 91543446
7-ethyl-5-methylundeca-4,8-dien-3-one
CID 74051199
fermium;(Z)-2-(oxomethylamino)-4-[(Z)-prop-1-enyl]hept-4-enoic acid
CID 168915507
(3R)-3-ethenylhexanoic acid
CID 55301979
(E)-3,4-dimethyloct-5-enoic acid
CID 155168739

Frequently Asked Questions

What is the IUPAC name of (6Z)-3,6-diethylnona-4,6-dienoic acid?
The IUPAC name of (6Z)-3,6-diethylnona-4,6-dienoic acid (CID 143337059) is (6Z)-3,6-diethylnona-4,6-dienoic acid.
What is the SMILES notation for (6Z)-3,6-diethylnona-4,6-dienoic acid?
The canonical SMILES for (6Z)-3,6-diethylnona-4,6-dienoic acid is CC/C=C(\C=CC(CC)CC(=O)O)CC.
What is the InChIKey of (6Z)-3,6-diethylnona-4,6-dienoic acid?
The InChIKey is QOQIZWIJTHSTBT-JWKBBABASA-N. The full InChI is InChI=1S/C13H22O2/c1-4-7-11(5-2)8-9-12(6-3)10-13(14)15/h7-9,12H,4-6,10H2,1-3H3,(H,14,15)/b9-8?,11-7-.
What are the key properties of (6Z)-3,6-diethylnona-4,6-dienoic acid?
(6Z)-3,6-diethylnona-4,6-dienoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3,6-diethylnona-4,6-dienoic acid is sourced from PubChem (CID 143337059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).