2-ethyl-5-prop-2-enyloxolane

C9H15O- — CID 91590153

IUPAC2-ethyl-5-prop-2-enyloxolane
SMILESC=CCC1CCC([CH-]C)O1
InChIInChI=1S/C9H15O/c1-3-5-9-7-6-8(4-2)10-9/h3-4,8-9H,1,5-7H2,2H3/q-1
InChIKeyKQIORYCISLCRRO-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.33
Rot. Bonds3

About 2-ethyl-5-prop-2-enyloxolane

2-ethyl-5-prop-2-enyloxolane (PubChem CID 91590153) has the molecular formula C9H15O- and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-ethyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name2-ethyl-5-prop-2-enyloxolane
PubChem CID91590153
Molecular FormulaC9H15O-
Molecular Weight139.22 g/mol
Exact Mass139.11
IUPAC Name2-ethyl-5-prop-2-enyloxolane
SMILESC=CCC1CCC([CH-]C)O1
InChIInChI=1S/C9H15O/c1-3-5-9-7-6-8(4-2)10-9/h3-4,8-9H,1,5-7H2,2H3/q-1
InChIKeyKQIORYCISLCRRO-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-prop-2-enyloxolane?
The IUPAC name of 2-ethyl-5-prop-2-enyloxolane (CID 91590153) is 2-ethyl-5-prop-2-enyloxolane.
What is the SMILES notation for 2-ethyl-5-prop-2-enyloxolane?
The canonical SMILES for 2-ethyl-5-prop-2-enyloxolane is C=CCC1CCC([CH-]C)O1.
What is the InChIKey of 2-ethyl-5-prop-2-enyloxolane?
The InChIKey is KQIORYCISLCRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O/c1-3-5-9-7-6-8(4-2)10-9/h3-4,8-9H,1,5-7H2,2H3/q-1.
What are the key properties of 2-ethyl-5-prop-2-enyloxolane?
2-ethyl-5-prop-2-enyloxolane has a molecular weight of 139.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-prop-2-enyloxolane is sourced from PubChem (CID 91590153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).