(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid

C12H18O2 — CID 143619943

IUPAC(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
SMILESC/C=C/C(=C\C=C\CCCC)C(=O)O
InChIInChI=1S/C12H18O2/c1-3-5-6-7-8-10-11(9-4-2)12(13)14/h4,7-10H,3,5-6H2,1-2H3,(H,13,14)/b8-7+,9-4+,11-10+
InChIKeyCZVHSRFOXGYOKX-RKWCMVMFSA-N
MW194.27 g/mol
LogP3.32
Rot. Bonds6

About (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid

(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid (PubChem CID 143619943) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
PubChem CID143619943
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
SMILESC/C=C/C(=C\C=C\CCCC)C(=O)O
InChIInChI=1S/C12H18O2/c1-3-5-6-7-8-10-11(9-4-2)12(13)14/h4,7-10H,3,5-6H2,1-2H3,(H,13,14)/b8-7+,9-4+,11-10+
InChIKeyCZVHSRFOXGYOKX-RKWCMVMFSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-prop-1-enyltrideca-2,4-dienoate
CID 175883901
2-prop-1-enylundec-2-enoic acid
CID 142785547
but-2-enoic acid;(Z)-hexadec-5-ene
CID 175450029
(E,2Z)-2-butylideneoct-3-enoic acid
CID 172709713
2-hex-1-enylbut-2-enedioic acid
CID 57259789
2-propyldeca-2,4-dienoic acid
CID 54309324
octadeca-2,11,13-trienoic acid
CID 173322272
(2E,4Z)-2-hexyldeca-2,4-dienoic acid
CID 87447693
2-pentadecylicosa-2,4-dienoic acid
CID 175591477
4-O-[(2Z,4E)-2-hydroxynona-2,4-dienyl] 1-O-methyl (Z)-but-2-enedioate
CID 139813864
deca-3,5-dienoic acid
CID 54113782
(5Z)-dodeca-5,7-dien-5-ol
CID 87161212

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid?
The IUPAC name of (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid (CID 143619943) is (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid is C/C=C/C(=C\C=C\CCCC)C(=O)O.
What is the InChIKey of (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid?
The InChIKey is CZVHSRFOXGYOKX-RKWCMVMFSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-6-7-8-10-11(9-4-2)12(13)14/h4,7-10H,3,5-6H2,1-2H3,(H,13,14)/b8-7+,9-4+,11-10+.
What are the key properties of (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid?
(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid has a molecular weight of 194.27 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid is sourced from PubChem (CID 143619943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).