2-ethenyl-4-propoxyoxane

C10H18O2 — CID 67319194

IUPAC2-ethenyl-4-propoxyoxane
SMILESC=CC1CC(OCCC)CCO1
InChIInChI=1S/C10H18O2/c1-3-6-11-10-5-7-12-9(4-2)8-10/h4,9-10H,2-3,5-8H2,1H3
InChIKeyIYGDLZQFJVMTBK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds4

About 2-ethenyl-4-propoxyoxane

2-ethenyl-4-propoxyoxane (PubChem CID 67319194) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethenyl-4-propoxyoxane.

Molecular Properties

Compound Name2-ethenyl-4-propoxyoxane
PubChem CID67319194
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethenyl-4-propoxyoxane
SMILESC=CC1CC(OCCC)CCO1
InChIInChI=1S/C10H18O2/c1-3-6-11-10-5-7-12-9(4-2)8-10/h4,9-10H,2-3,5-8H2,1H3
InChIKeyIYGDLZQFJVMTBK-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
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 2-ethenyl-4-propoxyoxane?
The IUPAC name of 2-ethenyl-4-propoxyoxane (CID 67319194) is 2-ethenyl-4-propoxyoxane.
What is the SMILES notation for 2-ethenyl-4-propoxyoxane?
The canonical SMILES for 2-ethenyl-4-propoxyoxane is C=CC1CC(OCCC)CCO1.
What is the InChIKey of 2-ethenyl-4-propoxyoxane?
The InChIKey is IYGDLZQFJVMTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-11-10-5-7-12-9(4-2)8-10/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 2-ethenyl-4-propoxyoxane?
2-ethenyl-4-propoxyoxane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-propoxyoxane is sourced from PubChem (CID 67319194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).