2-(trimethoxymethyl)penta-2,4-dienoic acid

C9H14O5 — CID 150168119

IUPAC2-(trimethoxymethyl)penta-2,4-dienoic acid
SMILESC=CC=C(C(=O)O)C(OC)(OC)OC
InChIInChI=1S/C9H14O5/c1-5-6-7(8(10)11)9(12-2,13-3)14-4/h5-6H,1H2,2-4H3,(H,10,11)
InChIKeyFIVLIUWNDHCIND-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.78
Rot. Bonds6

About 2-(trimethoxymethyl)penta-2,4-dienoic acid

2-(trimethoxymethyl)penta-2,4-dienoic acid (PubChem CID 150168119) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(trimethoxymethyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name2-(trimethoxymethyl)penta-2,4-dienoic acid
PubChem CID150168119
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2-(trimethoxymethyl)penta-2,4-dienoic acid
SMILESC=CC=C(C(=O)O)C(OC)(OC)OC
InChIInChI=1S/C9H14O5/c1-5-6-7(8(10)11)9(12-2,13-3)14-4/h5-6H,1H2,2-4H3,(H,10,11)
InChIKeyFIVLIUWNDHCIND-UHFFFAOYSA-N
XLogP0.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.78
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(trimethoxymethyl)penta-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

acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
[(1E,3E)-3-(trimethoxymethyl)hexa-1,3,5-trienoxy]benzene
CID 126606920
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
2-methoxy-2-methylbut-3-enoic acid
CID 164724816
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
CID 139378217
methoxymethane;prop-2-enoic acid
CID 22665045
(2E)-1-hydroxy-1-oxopenta-2,4-dien-2-olate
CID 54675827
ethenyl hydrogen carbonate;2-methylpenta-2,4-dienoic acid
CID 173185262
(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid
CID 88648997
methyl 2-phenylpenta-2,4-dienoate
CID 73023142

Frequently Asked Questions

What is the IUPAC name of 2-(trimethoxymethyl)penta-2,4-dienoic acid?
The IUPAC name of 2-(trimethoxymethyl)penta-2,4-dienoic acid (CID 150168119) is 2-(trimethoxymethyl)penta-2,4-dienoic acid.
What is the SMILES notation for 2-(trimethoxymethyl)penta-2,4-dienoic acid?
The canonical SMILES for 2-(trimethoxymethyl)penta-2,4-dienoic acid is C=CC=C(C(=O)O)C(OC)(OC)OC.
What is the InChIKey of 2-(trimethoxymethyl)penta-2,4-dienoic acid?
The InChIKey is FIVLIUWNDHCIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-5-6-7(8(10)11)9(12-2,13-3)14-4/h5-6H,1H2,2-4H3,(H,10,11).
What are the key properties of 2-(trimethoxymethyl)penta-2,4-dienoic acid?
2-(trimethoxymethyl)penta-2,4-dienoic acid has a molecular weight of 202.21 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethoxymethyl)penta-2,4-dienoic acid is sourced from PubChem (CID 150168119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).