2-ethenyl-5-ethyl-2-methyloxolane

C9H16O — CID 6431150

IUPAC2-ethenyl-5-ethyl-2-methyloxolane
SMILESC=CC1(C)CCC(CC)O1
InChIInChI=1S/C9H16O/c1-4-8-6-7-9(3,5-2)10-8/h5,8H,2,4,6-7H2,1,3H3
InChIKeyDVPIINWPSFQJCO-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 2-ethenyl-5-ethyl-2-methyloxolane

2-ethenyl-5-ethyl-2-methyloxolane (PubChem CID 6431150) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethenyl-5-ethyl-2-methyloxolane.

Molecular Properties

Compound Name2-ethenyl-5-ethyl-2-methyloxolane
PubChem CID6431150
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethenyl-5-ethyl-2-methyloxolane
SMILESC=CC1(C)CCC(CC)O1
InChIInChI=1S/C9H16O/c1-4-8-6-7-9(3,5-2)10-8/h5,8H,2,4,6-7H2,1,3H3
InChIKeyDVPIINWPSFQJCO-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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 2-ethenyl-5-ethyl-2-methyloxolane?
The IUPAC name of 2-ethenyl-5-ethyl-2-methyloxolane (CID 6431150) is 2-ethenyl-5-ethyl-2-methyloxolane.
What is the SMILES notation for 2-ethenyl-5-ethyl-2-methyloxolane?
The canonical SMILES for 2-ethenyl-5-ethyl-2-methyloxolane is C=CC1(C)CCC(CC)O1.
What is the InChIKey of 2-ethenyl-5-ethyl-2-methyloxolane?
The InChIKey is DVPIINWPSFQJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-8-6-7-9(3,5-2)10-8/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 2-ethenyl-5-ethyl-2-methyloxolane?
2-ethenyl-5-ethyl-2-methyloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethyl-2-methyloxolane is sourced from PubChem (CID 6431150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).