(2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal

C9H14O3 — CID 134216662

IUPAC(2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal
SMILESC/C=C\C(OCOC)=C(/C)C=O
InChIInChI=1S/C9H14O3/c1-4-5-9(8(2)6-10)12-7-11-3/h4-6H,7H2,1-3H3/b5-4-,9-8-
InChIKeyNMCXCGOTNLLQDX-WPAMCMATSA-N
MW170.21 g/mol
LogP1.66
Rot. Bonds5

About (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal

(2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal (PubChem CID 134216662) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal.

Molecular Properties

Compound Name(2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal
PubChem CID134216662
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal
SMILESC/C=C\C(OCOC)=C(/C)C=O
InChIInChI=1S/C9H14O3/c1-4-5-9(8(2)6-10)12-7-11-3/h4-6H,7H2,1-3H3/b5-4-,9-8-
InChIKeyNMCXCGOTNLLQDX-WPAMCMATSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-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 (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal?
The IUPAC name of (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal (CID 134216662) is (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal.
What is the SMILES notation for (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal?
The canonical SMILES for (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal is C/C=C\C(OCOC)=C(/C)C=O.
What is the InChIKey of (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal?
The InChIKey is NMCXCGOTNLLQDX-WPAMCMATSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-5-9(8(2)6-10)12-7-11-3/h4-6H,7H2,1-3H3/b5-4-,9-8-.
What are the key properties of (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal?
(2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal has a molecular weight of 170.21 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-(methoxymethoxy)-2-methylhexa-2,4-dienal is sourced from PubChem (CID 134216662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).