4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene

C12H20O — CID 118410143

IUPAC4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene
SMILESC=CCC1(OC)CCC(C)=C(C)C1
InChIInChI=1S/C12H20O/c1-5-7-12(13-4)8-6-10(2)11(3)9-12/h5H,1,6-9H2,2-4H3
InChIKeyYJIFKHRYULFROE-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds3

About 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene

4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene (PubChem CID 118410143) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene.

Molecular Properties

Compound Name4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene
PubChem CID118410143
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene
SMILESC=CCC1(OC)CCC(C)=C(C)C1
InChIInChI=1S/C12H20O/c1-5-7-12(13-4)8-6-10(2)11(3)9-12/h5H,1,6-9H2,2-4H3
InChIKeyYJIFKHRYULFROE-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene?
The IUPAC name of 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene (CID 118410143) is 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene.
What is the SMILES notation for 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene?
The canonical SMILES for 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene is C=CCC1(OC)CCC(C)=C(C)C1.
What is the InChIKey of 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene?
The InChIKey is YJIFKHRYULFROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-7-12(13-4)8-6-10(2)11(3)9-12/h5H,1,6-9H2,2-4H3.
What are the key properties of 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene?
4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene has a molecular weight of 180.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-dimethyl-4-prop-2-enylcyclohexene is sourced from PubChem (CID 118410143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).