4-methoxy-1,2-dimethyl-4-propylcyclohexene

C12H22O — CID 118410142

IUPAC4-methoxy-1,2-dimethyl-4-propylcyclohexene
SMILESCCCC1(OC)CCC(C)=C(C)C1
InChIInChI=1S/C12H22O/c1-5-7-12(13-4)8-6-10(2)11(3)9-12/h5-9H2,1-4H3
InChIKeyCJGGWMJCZWQYEO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds3

About 4-methoxy-1,2-dimethyl-4-propylcyclohexene

4-methoxy-1,2-dimethyl-4-propylcyclohexene (PubChem CID 118410142) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methoxy-1,2-dimethyl-4-propylcyclohexene.

Molecular Properties

Compound Name4-methoxy-1,2-dimethyl-4-propylcyclohexene
PubChem CID118410142
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methoxy-1,2-dimethyl-4-propylcyclohexene
SMILESCCCC1(OC)CCC(C)=C(C)C1
InChIInChI=1S/C12H22O/c1-5-7-12(13-4)8-6-10(2)11(3)9-12/h5-9H2,1-4H3
InChIKeyCJGGWMJCZWQYEO-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
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-propylcyclohexene?
The IUPAC name of 4-methoxy-1,2-dimethyl-4-propylcyclohexene (CID 118410142) is 4-methoxy-1,2-dimethyl-4-propylcyclohexene.
What is the SMILES notation for 4-methoxy-1,2-dimethyl-4-propylcyclohexene?
The canonical SMILES for 4-methoxy-1,2-dimethyl-4-propylcyclohexene is CCCC1(OC)CCC(C)=C(C)C1.
What is the InChIKey of 4-methoxy-1,2-dimethyl-4-propylcyclohexene?
The InChIKey is CJGGWMJCZWQYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-12(13-4)8-6-10(2)11(3)9-12/h5-9H2,1-4H3.
What are the key properties of 4-methoxy-1,2-dimethyl-4-propylcyclohexene?
4-methoxy-1,2-dimethyl-4-propylcyclohexene has a molecular weight of 182.31 g/mol, XLogP of 3.69, 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-propylcyclohexene is sourced from PubChem (CID 118410142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).