6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one

C14H22O2 — CID 10104970

IUPAC6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1=C(OCC(C)C)CCC(C)C1=O
InChIInChI=1S/C14H22O2/c1-5-6-12-13(16-9-10(2)3)8-7-11(4)14(12)15/h5,10-11H,1,6-9H2,2-4H3
InChIKeyRQPNQMMZXROJQL-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.49
Rot. Bonds5

About 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one

6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one (PubChem CID 10104970) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one
PubChem CID10104970
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1=C(OCC(C)C)CCC(C)C1=O
InChIInChI=1S/C14H22O2/c1-5-6-12-13(16-9-10(2)3)8-7-11(4)14(12)15/h5,10-11H,1,6-9H2,2-4H3
InChIKeyRQPNQMMZXROJQL-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.49
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-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one (CID 10104970) is 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one is C=CCC1=C(OCC(C)C)CCC(C)C1=O.
What is the InChIKey of 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is RQPNQMMZXROJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-6-12-13(16-9-10(2)3)8-7-11(4)14(12)15/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one?
6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropoxy)-2-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 10104970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).