5-methoxy-4,8-dimethylnon-3-ene

C12H24O — CID 54039577

IUPAC5-methoxy-4,8-dimethylnon-3-ene
SMILESCCC=C(C)C(CCC(C)C)OC
InChIInChI=1S/C12H24O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,10,12H,6,8-9H2,1-5H3
InChIKeyLLJYLFYNMBCXDG-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds6

About 5-methoxy-4,8-dimethylnon-3-ene

5-methoxy-4,8-dimethylnon-3-ene (PubChem CID 54039577) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-methoxy-4,8-dimethylnon-3-ene.

Molecular Properties

Compound Name5-methoxy-4,8-dimethylnon-3-ene
PubChem CID54039577
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-methoxy-4,8-dimethylnon-3-ene
SMILESCCC=C(C)C(CCC(C)C)OC
InChIInChI=1S/C12H24O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,10,12H,6,8-9H2,1-5H3
InChIKeyLLJYLFYNMBCXDG-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-methoxy-4,8-dimethylnon-3-ene?
The IUPAC name of 5-methoxy-4,8-dimethylnon-3-ene (CID 54039577) is 5-methoxy-4,8-dimethylnon-3-ene.
What is the SMILES notation for 5-methoxy-4,8-dimethylnon-3-ene?
The canonical SMILES for 5-methoxy-4,8-dimethylnon-3-ene is CCC=C(C)C(CCC(C)C)OC.
What is the InChIKey of 5-methoxy-4,8-dimethylnon-3-ene?
The InChIKey is LLJYLFYNMBCXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-7-11(4)12(13-5)9-8-10(2)3/h7,10,12H,6,8-9H2,1-5H3.
What are the key properties of 5-methoxy-4,8-dimethylnon-3-ene?
5-methoxy-4,8-dimethylnon-3-ene has a molecular weight of 184.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,8-dimethylnon-3-ene is sourced from PubChem (CID 54039577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).