6-methoxy-4-prop-2-enylcyclohex-2-en-1-one

C10H14O2 — CID 54415987

IUPAC6-methoxy-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1C=CC(=O)C(OC)C1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-6,8,10H,1,4,7H2,2H3
InChIKeyVXLARYZQLMMPHE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds3

About 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one

6-methoxy-4-prop-2-enylcyclohex-2-en-1-one (PubChem CID 54415987) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methoxy-4-prop-2-enylcyclohex-2-en-1-one
PubChem CID54415987
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-methoxy-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1C=CC(=O)C(OC)C1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-6,8,10H,1,4,7H2,2H3
InChIKeyVXLARYZQLMMPHE-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
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 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one (CID 54415987) is 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one is C=CCC1C=CC(=O)C(OC)C1.
What is the InChIKey of 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is VXLARYZQLMMPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-6,8,10H,1,4,7H2,2H3.
What are the key properties of 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one?
6-methoxy-4-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 54415987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).