4-methoxy-3,6-dimethylcyclohexene

C9H16O — CID 13359358

IUPAC4-methoxy-3,6-dimethylcyclohexene
SMILESCOC1CC(C)C=CC1C
InChIInChI=1S/C9H16O/c1-7-4-5-8(2)9(6-7)10-3/h4-5,7-9H,6H2,1-3H3
InChIKeyNXXUTQMEERQSKH-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds1

About 4-methoxy-3,6-dimethylcyclohexene

4-methoxy-3,6-dimethylcyclohexene (PubChem CID 13359358) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methoxy-3,6-dimethylcyclohexene.

Molecular Properties

Compound Name4-methoxy-3,6-dimethylcyclohexene
PubChem CID13359358
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methoxy-3,6-dimethylcyclohexene
SMILESCOC1CC(C)C=CC1C
InChIInChI=1S/C9H16O/c1-7-4-5-8(2)9(6-7)10-3/h4-5,7-9H,6H2,1-3H3
InChIKeyNXXUTQMEERQSKH-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.23
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 4-methoxy-3,6-dimethylcyclohexene?
The IUPAC name of 4-methoxy-3,6-dimethylcyclohexene (CID 13359358) is 4-methoxy-3,6-dimethylcyclohexene.
What is the SMILES notation for 4-methoxy-3,6-dimethylcyclohexene?
The canonical SMILES for 4-methoxy-3,6-dimethylcyclohexene is COC1CC(C)C=CC1C.
What is the InChIKey of 4-methoxy-3,6-dimethylcyclohexene?
The InChIKey is NXXUTQMEERQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-8(2)9(6-7)10-3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 4-methoxy-3,6-dimethylcyclohexene?
4-methoxy-3,6-dimethylcyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,6-dimethylcyclohexene is sourced from PubChem (CID 13359358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).