(2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal

C11H16O3 — CID 14495386

IUPAC(2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal
SMILESCC(/C=C/CC1(C)OCCO1)=C\C=O
InChIInChI=1S/C11H16O3/c1-10(5-7-12)4-3-6-11(2)13-8-9-14-11/h3-5,7H,6,8-9H2,1-2H3/b4-3+,10-5+
InChIKeyVYTXUSFKFHUZIA-COBAKMAKSA-N
MW196.25 g/mol
LogP1.84
Rot. Bonds4

About (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal

(2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal (PubChem CID 14495386) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal
PubChem CID14495386
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal
SMILESCC(/C=C/CC1(C)OCCO1)=C\C=O
InChIInChI=1S/C11H16O3/c1-10(5-7-12)4-3-6-11(2)13-8-9-14-11/h3-5,7H,6,8-9H2,1-2H3/b4-3+,10-5+
InChIKeyVYTXUSFKFHUZIA-COBAKMAKSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-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 (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal?
The IUPAC name of (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal (CID 14495386) is (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal.
What is the SMILES notation for (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal?
The canonical SMILES for (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal is CC(/C=C/CC1(C)OCCO1)=C\C=O.
What is the InChIKey of (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal?
The InChIKey is VYTXUSFKFHUZIA-COBAKMAKSA-N. The full InChI is InChI=1S/C11H16O3/c1-10(5-7-12)4-3-6-11(2)13-8-9-14-11/h3-5,7H,6,8-9H2,1-2H3/b4-3+,10-5+.
What are the key properties of (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal?
(2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal has a molecular weight of 196.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexa-2,4-dienal is sourced from PubChem (CID 14495386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).