(3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal

C11H16O4 — CID 89070104

IUPAC(3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal
SMILESC=C(C=O)/C=C(OC)\C(OC)=C(/C)OC
InChIInChI=1S/C11H16O4/c1-8(7-12)6-10(14-4)11(15-5)9(2)13-3/h6-7H,1H2,2-5H3/b10-6+,11-9-
InChIKeyMOUZNDYMBMBKFN-QCOLZXCRSA-N
MW212.24 g/mol
LogP1.80
Rot. Bonds6

About (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal

(3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal (PubChem CID 89070104) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal.

Molecular Properties

Compound Name(3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal
PubChem CID89070104
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal
SMILESC=C(C=O)/C=C(OC)\C(OC)=C(/C)OC
InChIInChI=1S/C11H16O4/c1-8(7-12)6-10(14-4)11(15-5)9(2)13-3/h6-7H,1H2,2-5H3/b10-6+,11-9-
InChIKeyMOUZNDYMBMBKFN-QCOLZXCRSA-N
XLogP1.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal?
The IUPAC name of (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal (CID 89070104) is (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal.
What is the SMILES notation for (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal?
The canonical SMILES for (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal is C=C(C=O)/C=C(OC)\C(OC)=C(/C)OC.
What is the InChIKey of (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal?
The InChIKey is MOUZNDYMBMBKFN-QCOLZXCRSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(7-12)6-10(14-4)11(15-5)9(2)13-3/h6-7H,1H2,2-5H3/b10-6+,11-9-.
What are the key properties of (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal?
(3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal has a molecular weight of 212.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4,5,6-trimethoxy-2-methylidenehepta-3,5-dienal is sourced from PubChem (CID 89070104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).