(2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid

C12H18O5 — CID 122403486

IUPAC(2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid
SMILESC=C[C@@H](OCOC)[C@@H](/C=C/C=C/C(=O)O)OC
InChIInChI=1S/C12H18O5/c1-4-10(17-9-15-2)11(16-3)7-5-6-8-12(13)14/h4-8,10-11H,1,9H2,2-3H3,(H,13,14)/b7-5+,8-6+/t10-,11-/m1/s1
InChIKeyHNHMXJRBZVKSRR-JISVGDSBSA-N
MW242.27 g/mol
LogP1.37
Rot. Bonds9

About (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid

(2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid (PubChem CID 122403486) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid.

Molecular Properties

Compound Name(2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid
PubChem CID122403486
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid
SMILESC=C[C@@H](OCOC)[C@@H](/C=C/C=C/C(=O)O)OC
InChIInChI=1S/C12H18O5/c1-4-10(17-9-15-2)11(16-3)7-5-6-8-12(13)14/h4-8,10-11H,1,9H2,2-3H3,(H,13,14)/b7-5+,8-6+/t10-,11-/m1/s1
InChIKeyHNHMXJRBZVKSRR-JISVGDSBSA-N
XLogP1.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic 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

(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-enoic acid
CID 102458905
(3R)-3-(methoxymethoxy)pent-4-en-2-one
CID 102143717
5-methoxypenta-2,4-dienoic acid
CID 54531073
(2E,4S,5S)-4,5-bis(methoxymethoxy)hepta-2,6-dienenitrile
CID 102288316
[4,5-bis(methoxymethoxy)-6-oxohex-1-en-3-yl] benzoate
CID 542490
benzene;dimethoxymethane;prop-2-enoic acid
CID 174603186
(2E,4E)-(1,6-13C2)hexa-2,4-dienedioic acid
CID 101364163
hexa-2,4-dienedioic acid
CID 310
3-methoxy-2-(1-oxobutan-2-yloxy)pent-4-enoic acid
CID 155644186
octa-2,4,7-trienoic acid
CID 173345547
ethanol;(2E,4E)-hexa-2,4-dienedioic acid
CID 174832152
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid?
The IUPAC name of (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid (CID 122403486) is (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid.
What is the SMILES notation for (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid?
The canonical SMILES for (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid is C=C[C@@H](OCOC)[C@@H](/C=C/C=C/C(=O)O)OC.
What is the InChIKey of (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid?
The InChIKey is HNHMXJRBZVKSRR-JISVGDSBSA-N. The full InChI is InChI=1S/C12H18O5/c1-4-10(17-9-15-2)11(16-3)7-5-6-8-12(13)14/h4-8,10-11H,1,9H2,2-3H3,(H,13,14)/b7-5+,8-6+/t10-,11-/m1/s1.
What are the key properties of (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid?
(2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid has a molecular weight of 242.27 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R,7R)-6-methoxy-7-(methoxymethoxy)nona-2,4,8-trienoic acid is sourced from PubChem (CID 122403486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).