4-methoxy-5-methylhepta-2,4-diene

C9H16O — CID 91556490

IUPAC4-methoxy-5-methylhepta-2,4-diene
SMILESCC=CC(OC)=C(C)CC
InChIInChI=1S/C9H16O/c1-5-7-9(10-4)8(3)6-2/h5,7H,6H2,1-4H3
InChIKeyZQIBBSVVUHPQMC-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds3

About 4-methoxy-5-methylhepta-2,4-diene

4-methoxy-5-methylhepta-2,4-diene (PubChem CID 91556490) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methoxy-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name4-methoxy-5-methylhepta-2,4-diene
PubChem CID91556490
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methoxy-5-methylhepta-2,4-diene
SMILESCC=CC(OC)=C(C)CC
InChIInChI=1S/C9H16O/c1-5-7-9(10-4)8(3)6-2/h5,7H,6H2,1-4H3
InChIKeyZQIBBSVVUHPQMC-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methylhepta-2,4-diene?
The IUPAC name of 4-methoxy-5-methylhepta-2,4-diene (CID 91556490) is 4-methoxy-5-methylhepta-2,4-diene.
What is the SMILES notation for 4-methoxy-5-methylhepta-2,4-diene?
The canonical SMILES for 4-methoxy-5-methylhepta-2,4-diene is CC=CC(OC)=C(C)CC.
What is the InChIKey of 4-methoxy-5-methylhepta-2,4-diene?
The InChIKey is ZQIBBSVVUHPQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7-9(10-4)8(3)6-2/h5,7H,6H2,1-4H3.
What are the key properties of 4-methoxy-5-methylhepta-2,4-diene?
4-methoxy-5-methylhepta-2,4-diene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methylhepta-2,4-diene is sourced from PubChem (CID 91556490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).