4,6-dimethoxynona-1,8-diene

C11H20O2 — CID 14320354

IUPAC4,6-dimethoxynona-1,8-diene
SMILESC=CCC(CC(CC=C)OC)OC
InChIInChI=1S/C11H20O2/c1-5-7-10(12-3)9-11(13-4)8-6-2/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeyMXUWQAMZDZRQNC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds8

About 4,6-dimethoxynona-1,8-diene

4,6-dimethoxynona-1,8-diene (PubChem CID 14320354) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4,6-dimethoxynona-1,8-diene.

Molecular Properties

Compound Name4,6-dimethoxynona-1,8-diene
PubChem CID14320354
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4,6-dimethoxynona-1,8-diene
SMILESC=CCC(CC(CC=C)OC)OC
InChIInChI=1S/C11H20O2/c1-5-7-10(12-3)9-11(13-4)8-6-2/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeyMXUWQAMZDZRQNC-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxynona-1,8-diene?
The IUPAC name of 4,6-dimethoxynona-1,8-diene (CID 14320354) is 4,6-dimethoxynona-1,8-diene.
What is the SMILES notation for 4,6-dimethoxynona-1,8-diene?
The canonical SMILES for 4,6-dimethoxynona-1,8-diene is C=CCC(CC(CC=C)OC)OC.
What is the InChIKey of 4,6-dimethoxynona-1,8-diene?
The InChIKey is MXUWQAMZDZRQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-10(12-3)9-11(13-4)8-6-2/h5-6,10-11H,1-2,7-9H2,3-4H3.
What are the key properties of 4,6-dimethoxynona-1,8-diene?
4,6-dimethoxynona-1,8-diene has a molecular weight of 184.28 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxynona-1,8-diene is sourced from PubChem (CID 14320354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).