(5E,7E)-nona-5,7-dienoic acid

C9H14O2 — CID 5312593

IUPAC(5E,7E)-nona-5,7-dienoic acid
SMILESC/C=C/C=C/CCCC(=O)O
InChIInChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-5H,6-8H2,1H3,(H,10,11)/b3-2+,5-4+
InChIKeyMBFQFNUNKGVKRZ-MQQKCMAXSA-N
MW154.21 g/mol
LogP2.37
Rot. Bonds5

About (5E,7E)-nona-5,7-dienoic acid

(5E,7E)-nona-5,7-dienoic acid (PubChem CID 5312593) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5E,7E)-nona-5,7-dienoic acid.

Molecular Properties

Compound Name(5E,7E)-nona-5,7-dienoic acid
PubChem CID5312593
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5E,7E)-nona-5,7-dienoic acid
SMILESC/C=C/C=C/CCCC(=O)O
InChIInChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-5H,6-8H2,1H3,(H,10,11)/b3-2+,5-4+
InChIKeyMBFQFNUNKGVKRZ-MQQKCMAXSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trideca-9,11-dienoic acid
CID 56613919
(12Z,14Z)-hexadeca-12,14-dienoic acid
CID 118342328
sodium;hept-5-enoic acid;hydride
CID 174384913
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
pentadeca-5,7-dienoic acid
CID 123590047
9-oxonona-5,7-dienoic acid
CID 57345996
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid
CID 153402833
(11E)-trideca-9,11-dien-2-one
CID 161147257
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-nona-5,7-dienoic acid?
The IUPAC name of (5E,7E)-nona-5,7-dienoic acid (CID 5312593) is (5E,7E)-nona-5,7-dienoic acid.
What is the SMILES notation for (5E,7E)-nona-5,7-dienoic acid?
The canonical SMILES for (5E,7E)-nona-5,7-dienoic acid is C/C=C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,7E)-nona-5,7-dienoic acid?
The InChIKey is MBFQFNUNKGVKRZ-MQQKCMAXSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-5H,6-8H2,1H3,(H,10,11)/b3-2+,5-4+.
What are the key properties of (5E,7E)-nona-5,7-dienoic acid?
(5E,7E)-nona-5,7-dienoic acid has a molecular weight of 154.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-nona-5,7-dienoic acid is sourced from PubChem (CID 5312593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).