2-ethenoxy-3,6-dihydro-2H-pyran

C7H10O2 — CID 70444461

IUPAC2-ethenoxy-3,6-dihydro-2H-pyran
SMILESC=COC1CC=CCO1
InChIInChI=1S/C7H10O2/c1-2-8-7-5-3-4-6-9-7/h2-4,7H,1,5-6H2
InChIKeyKCILZJZEBVYSTE-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.45
Rot. Bonds2

About 2-ethenoxy-3,6-dihydro-2H-pyran

2-ethenoxy-3,6-dihydro-2H-pyran (PubChem CID 70444461) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-ethenoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethenoxy-3,6-dihydro-2H-pyran
PubChem CID70444461
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-ethenoxy-3,6-dihydro-2H-pyran
SMILESC=COC1CC=CCO1
InChIInChI=1S/C7H10O2/c1-2-8-7-5-3-4-6-9-7/h2-4,7H,1,5-6H2
InChIKeyKCILZJZEBVYSTE-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-3,6-dihydro-2H-pyran?
The IUPAC name of 2-ethenoxy-3,6-dihydro-2H-pyran (CID 70444461) is 2-ethenoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-ethenoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-ethenoxy-3,6-dihydro-2H-pyran is C=COC1CC=CCO1.
What is the InChIKey of 2-ethenoxy-3,6-dihydro-2H-pyran?
The InChIKey is KCILZJZEBVYSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-8-7-5-3-4-6-9-7/h2-4,7H,1,5-6H2.
What are the key properties of 2-ethenoxy-3,6-dihydro-2H-pyran?
2-ethenoxy-3,6-dihydro-2H-pyran has a molecular weight of 126.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 70444461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).