6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

C11H16O2 — CID 86225234

IUPAC6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1(OC)CCC(C)=CC1=O
InChIInChI=1S/C11H16O2/c1-8(2)11(13-4)6-5-9(3)7-10(11)12/h7H,1,5-6H2,2-4H3
InChIKeyBRTZDCQNZKKULS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds2

About 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 86225234) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID86225234
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1(OC)CCC(C)=CC1=O
InChIInChI=1S/C11H16O2/c1-8(2)11(13-4)6-5-9(3)7-10(11)12/h7H,1,5-6H2,2-4H3
InChIKeyBRTZDCQNZKKULS-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
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-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one (CID 86225234) is 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1(OC)CCC(C)=CC1=O.
What is the InChIKey of 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is BRTZDCQNZKKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)11(13-4)6-5-9(3)7-10(11)12/h7H,1,5-6H2,2-4H3.
What are the key properties of 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 86225234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).