2-ethenyl-3-methoxy-1,4-dimethylcyclohexene

C11H18O — CID 178088287

IUPAC2-ethenyl-3-methoxy-1,4-dimethylcyclohexene
SMILESC=CC1=C(C)CCC(C)C1OC
InChIInChI=1S/C11H18O/c1-5-10-8(2)6-7-9(3)11(10)12-4/h5,9,11H,1,6-7H2,2-4H3
InChIKeyLLQOJEPJDDIICK-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds2

About 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene

2-ethenyl-3-methoxy-1,4-dimethylcyclohexene (PubChem CID 178088287) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene.

Molecular Properties

Compound Name2-ethenyl-3-methoxy-1,4-dimethylcyclohexene
PubChem CID178088287
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-ethenyl-3-methoxy-1,4-dimethylcyclohexene
SMILESC=CC1=C(C)CCC(C)C1OC
InChIInChI=1S/C11H18O/c1-5-10-8(2)6-7-9(3)11(10)12-4/h5,9,11H,1,6-7H2,2-4H3
InChIKeyLLQOJEPJDDIICK-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene?
The IUPAC name of 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene (CID 178088287) is 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene.
What is the SMILES notation for 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene?
The canonical SMILES for 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene is C=CC1=C(C)CCC(C)C1OC.
What is the InChIKey of 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene?
The InChIKey is LLQOJEPJDDIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-10-8(2)6-7-9(3)11(10)12-4/h5,9,11H,1,6-7H2,2-4H3.
What are the key properties of 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene?
2-ethenyl-3-methoxy-1,4-dimethylcyclohexene has a molecular weight of 166.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxy-1,4-dimethylcyclohexene is sourced from PubChem (CID 178088287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).