5-methoxy-2,6-dimethylnona-1,6-diene

C12H22O — CID 54515081

IUPAC5-methoxy-2,6-dimethylnona-1,6-diene
SMILESC=C(C)CCC(OC)C(C)=CCC
InChIInChI=1S/C12H22O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,12H,2,6,8-9H2,1,3-5H3
InChIKeyYLWALOXNLSDOGZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.71
Rot. Bonds6

About 5-methoxy-2,6-dimethylnona-1,6-diene

5-methoxy-2,6-dimethylnona-1,6-diene (PubChem CID 54515081) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-methoxy-2,6-dimethylnona-1,6-diene.

Molecular Properties

Compound Name5-methoxy-2,6-dimethylnona-1,6-diene
PubChem CID54515081
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-methoxy-2,6-dimethylnona-1,6-diene
SMILESC=C(C)CCC(OC)C(C)=CCC
InChIInChI=1S/C12H22O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,12H,2,6,8-9H2,1,3-5H3
InChIKeyYLWALOXNLSDOGZ-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methoxy-2,6-dimethylnona-1,6-diene 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 5-methoxy-2,6-dimethylnona-1,6-diene?
The IUPAC name of 5-methoxy-2,6-dimethylnona-1,6-diene (CID 54515081) is 5-methoxy-2,6-dimethylnona-1,6-diene.
What is the SMILES notation for 5-methoxy-2,6-dimethylnona-1,6-diene?
The canonical SMILES for 5-methoxy-2,6-dimethylnona-1,6-diene is C=C(C)CCC(OC)C(C)=CCC.
What is the InChIKey of 5-methoxy-2,6-dimethylnona-1,6-diene?
The InChIKey is YLWALOXNLSDOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,12H,2,6,8-9H2,1,3-5H3.
What are the key properties of 5-methoxy-2,6-dimethylnona-1,6-diene?
5-methoxy-2,6-dimethylnona-1,6-diene has a molecular weight of 182.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,6-dimethylnona-1,6-diene is sourced from PubChem (CID 54515081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).