4-ethyl-2-prop-2-enyloxane

C10H18O — CID 54529386

IUPAC4-ethyl-2-prop-2-enyloxane
SMILESC=CCC1CC(CC)CCO1
InChIInChI=1S/C10H18O/c1-3-5-10-8-9(4-2)6-7-11-10/h3,9-10H,1,4-8H2,2H3
InChIKeyWVKRWLMLKVOKFG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds3

About 4-ethyl-2-prop-2-enyloxane

4-ethyl-2-prop-2-enyloxane (PubChem CID 54529386) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-ethyl-2-prop-2-enyloxane.

Molecular Properties

Compound Name4-ethyl-2-prop-2-enyloxane
PubChem CID54529386
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-ethyl-2-prop-2-enyloxane
SMILESC=CCC1CC(CC)CCO1
InChIInChI=1S/C10H18O/c1-3-5-10-8-9(4-2)6-7-11-10/h3,9-10H,1,4-8H2,2H3
InChIKeyWVKRWLMLKVOKFG-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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-ethyl-2-prop-2-enyloxane?
The IUPAC name of 4-ethyl-2-prop-2-enyloxane (CID 54529386) is 4-ethyl-2-prop-2-enyloxane.
What is the SMILES notation for 4-ethyl-2-prop-2-enyloxane?
The canonical SMILES for 4-ethyl-2-prop-2-enyloxane is C=CCC1CC(CC)CCO1.
What is the InChIKey of 4-ethyl-2-prop-2-enyloxane?
The InChIKey is WVKRWLMLKVOKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-10-8-9(4-2)6-7-11-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 4-ethyl-2-prop-2-enyloxane?
4-ethyl-2-prop-2-enyloxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-prop-2-enyloxane is sourced from PubChem (CID 54529386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).