2,6-dimethoxy-3-methylhexa-1,3-diene

C9H16O2 — CID 123429220

IUPAC2,6-dimethoxy-3-methylhexa-1,3-diene
SMILESC=C(OC)C(C)=CCCOC
InChIInChI=1S/C9H16O2/c1-8(9(2)11-4)6-5-7-10-3/h6H,2,5,7H2,1,3-4H3
InChIKeyKJJFODJECJCWTA-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds5

About 2,6-dimethoxy-3-methylhexa-1,3-diene

2,6-dimethoxy-3-methylhexa-1,3-diene (PubChem CID 123429220) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,6-dimethoxy-3-methylhexa-1,3-diene.

Molecular Properties

Compound Name2,6-dimethoxy-3-methylhexa-1,3-diene
PubChem CID123429220
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,6-dimethoxy-3-methylhexa-1,3-diene
SMILESC=C(OC)C(C)=CCCOC
InChIInChI=1S/C9H16O2/c1-8(9(2)11-4)6-5-7-10-3/h6H,2,5,7H2,1,3-4H3
InChIKeyKJJFODJECJCWTA-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-methylhexa-1,3-diene?
The IUPAC name of 2,6-dimethoxy-3-methylhexa-1,3-diene (CID 123429220) is 2,6-dimethoxy-3-methylhexa-1,3-diene.
What is the SMILES notation for 2,6-dimethoxy-3-methylhexa-1,3-diene?
The canonical SMILES for 2,6-dimethoxy-3-methylhexa-1,3-diene is C=C(OC)C(C)=CCCOC.
What is the InChIKey of 2,6-dimethoxy-3-methylhexa-1,3-diene?
The InChIKey is KJJFODJECJCWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(9(2)11-4)6-5-7-10-3/h6H,2,5,7H2,1,3-4H3.
What are the key properties of 2,6-dimethoxy-3-methylhexa-1,3-diene?
2,6-dimethoxy-3-methylhexa-1,3-diene has a molecular weight of 156.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-methylhexa-1,3-diene is sourced from PubChem (CID 123429220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).