4,5-dimethoxycyclohexene

C8H14O2 — CID 14673787

IUPAC4,5-dimethoxycyclohexene
SMILESCOC1CC=CCC1OC
InChIInChI=1S/C8H14O2/c1-9-7-5-3-4-6-8(7)10-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJYYWFFXFTJEERY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds2

About 4,5-dimethoxycyclohexene

4,5-dimethoxycyclohexene (PubChem CID 14673787) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,5-dimethoxycyclohexene.

Molecular Properties

Compound Name4,5-dimethoxycyclohexene
PubChem CID14673787
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,5-dimethoxycyclohexene
SMILESCOC1CC=CCC1OC
InChIInChI=1S/C8H14O2/c1-9-7-5-3-4-6-8(7)10-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJYYWFFXFTJEERY-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.37
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 4,5-dimethoxycyclohexene?
The IUPAC name of 4,5-dimethoxycyclohexene (CID 14673787) is 4,5-dimethoxycyclohexene.
What is the SMILES notation for 4,5-dimethoxycyclohexene?
The canonical SMILES for 4,5-dimethoxycyclohexene is COC1CC=CCC1OC.
What is the InChIKey of 4,5-dimethoxycyclohexene?
The InChIKey is JYYWFFXFTJEERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-7-5-3-4-6-8(7)10-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4,5-dimethoxycyclohexene?
4,5-dimethoxycyclohexene has a molecular weight of 142.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxycyclohexene is sourced from PubChem (CID 14673787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).