8-methoxy-2,4-dimethyloct-3-ene

C11H22O — CID 3022779

IUPAC8-methoxy-2,4-dimethyloct-3-ene
SMILESCOCCCCC(C)=CC(C)C
InChIInChI=1S/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyZIBNNFGZMSQJND-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds6

About 8-methoxy-2,4-dimethyloct-3-ene

8-methoxy-2,4-dimethyloct-3-ene (PubChem CID 3022779) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 8-methoxy-2,4-dimethyloct-3-ene.

Molecular Properties

Compound Name8-methoxy-2,4-dimethyloct-3-ene
PubChem CID3022779
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name8-methoxy-2,4-dimethyloct-3-ene
SMILESCOCCCCC(C)=CC(C)C
InChIInChI=1S/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyZIBNNFGZMSQJND-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,4-dimethyloct-3-ene?
The IUPAC name of 8-methoxy-2,4-dimethyloct-3-ene (CID 3022779) is 8-methoxy-2,4-dimethyloct-3-ene.
What is the SMILES notation for 8-methoxy-2,4-dimethyloct-3-ene?
The canonical SMILES for 8-methoxy-2,4-dimethyloct-3-ene is COCCCCC(C)=CC(C)C.
What is the InChIKey of 8-methoxy-2,4-dimethyloct-3-ene?
The InChIKey is ZIBNNFGZMSQJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 8-methoxy-2,4-dimethyloct-3-ene?
8-methoxy-2,4-dimethyloct-3-ene has a molecular weight of 170.30 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,4-dimethyloct-3-ene is sourced from PubChem (CID 3022779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).