2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one

C11H16O3 — CID 123709183

IUPAC2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1C=C(OC)C(=O)C(OC)C1
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6,8,10H,1,5,7H2,2-3H3
InChIKeyZNCMNXOBYFSFMG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.70
Rot. Bonds4

About 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one

2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one (PubChem CID 123709183) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one
PubChem CID123709183
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1C=C(OC)C(=O)C(OC)C1
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6,8,10H,1,5,7H2,2-3H3
InChIKeyZNCMNXOBYFSFMG-UHFFFAOYSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one (CID 123709183) is 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one is C=CCC1C=C(OC)C(=O)C(OC)C1.
What is the InChIKey of 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is ZNCMNXOBYFSFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6,8,10H,1,5,7H2,2-3H3.
What are the key properties of 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one?
2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 123709183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).