ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane

C13H25NO2 — CID 170613830

IUPACethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane
SMILESC=CCOc1cc(CC)on1.CC.CCC
InChIInChI=1S/C8H11NO2.C3H8.C2H6/c1-3-5-10-8-6-7(4-2)11-9-8;1-3-2;1-2/h3,6H,1,4-5H2,2H3;3H2,1-2H3;1-2H3
InChIKeyRLNKPPNIYRPAKH-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.24
Rot. Bonds4

About ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane

ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane (PubChem CID 170613830) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane.

Molecular Properties

Compound Nameethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane
PubChem CID170613830
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane
SMILESC=CCOc1cc(CC)on1.CC.CCC
InChIInChI=1S/C8H11NO2.C3H8.C2H6/c1-3-5-10-8-6-7(4-2)11-9-8;1-3-2;1-2/h3,6H,1,4-5H2,2H3;3H2,1-2H3;1-2H3
InChIKeyRLNKPPNIYRPAKH-UHFFFAOYSA-N
XLogP4.24
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane?
The IUPAC name of ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane (CID 170613830) is ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane.
What is the SMILES notation for ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane?
The canonical SMILES for ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane is C=CCOc1cc(CC)on1.CC.CCC.
What is the InChIKey of ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane?
The InChIKey is RLNKPPNIYRPAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C3H8.C2H6/c1-3-5-10-8-6-7(4-2)11-9-8;1-3-2;1-2/h3,6H,1,4-5H2,2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane?
ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane has a molecular weight of 227.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-prop-2-enoxy-1,2-oxazole;propane is sourced from PubChem (CID 170613830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).