4-methoxy-1,3-dimethylcyclopentene

C8H14O — CID 174381720

IUPAC4-methoxy-1,3-dimethylcyclopentene
SMILESCOC1CC(C)=CC1C
InChIInChI=1S/C8H14O/c1-6-4-7(2)8(5-6)9-3/h4,7-8H,5H2,1-3H3
InChIKeyRKNNBAWLFDHCDF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 4-methoxy-1,3-dimethylcyclopentene

4-methoxy-1,3-dimethylcyclopentene (PubChem CID 174381720) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methoxy-1,3-dimethylcyclopentene.

Molecular Properties

Compound Name4-methoxy-1,3-dimethylcyclopentene
PubChem CID174381720
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methoxy-1,3-dimethylcyclopentene
SMILESCOC1CC(C)=CC1C
InChIInChI=1S/C8H14O/c1-6-4-7(2)8(5-6)9-3/h4,7-8H,5H2,1-3H3
InChIKeyRKNNBAWLFDHCDF-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
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-1,3-dimethylcyclopentene?
The IUPAC name of 4-methoxy-1,3-dimethylcyclopentene (CID 174381720) is 4-methoxy-1,3-dimethylcyclopentene.
What is the SMILES notation for 4-methoxy-1,3-dimethylcyclopentene?
The canonical SMILES for 4-methoxy-1,3-dimethylcyclopentene is COC1CC(C)=CC1C.
What is the InChIKey of 4-methoxy-1,3-dimethylcyclopentene?
The InChIKey is RKNNBAWLFDHCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-7(2)8(5-6)9-3/h4,7-8H,5H2,1-3H3.
What are the key properties of 4-methoxy-1,3-dimethylcyclopentene?
4-methoxy-1,3-dimethylcyclopentene has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-dimethylcyclopentene is sourced from PubChem (CID 174381720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).