2-ethenyl-2-methyloxolane

C7H12O — CID 12735921

IUPAC2-ethenyl-2-methyloxolane
SMILESC=CC1(C)CCCO1
InChIInChI=1S/C7H12O/c1-3-7(2)5-4-6-8-7/h3H,1,4-6H2,2H3
InChIKeyCDJYNXISDGRFRM-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds1

About 2-ethenyl-2-methyloxolane

2-ethenyl-2-methyloxolane (PubChem CID 12735921) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethenyl-2-methyloxolane.

Molecular Properties

Compound Name2-ethenyl-2-methyloxolane
PubChem CID12735921
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethenyl-2-methyloxolane
SMILESC=CC1(C)CCCO1
InChIInChI=1S/C7H12O/c1-3-7(2)5-4-6-8-7/h3H,1,4-6H2,2H3
InChIKeyCDJYNXISDGRFRM-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
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-2-methyloxolane?
The IUPAC name of 2-ethenyl-2-methyloxolane (CID 12735921) is 2-ethenyl-2-methyloxolane.
What is the SMILES notation for 2-ethenyl-2-methyloxolane?
The canonical SMILES for 2-ethenyl-2-methyloxolane is C=CC1(C)CCCO1.
What is the InChIKey of 2-ethenyl-2-methyloxolane?
The InChIKey is CDJYNXISDGRFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7(2)5-4-6-8-7/h3H,1,4-6H2,2H3.
What are the key properties of 2-ethenyl-2-methyloxolane?
2-ethenyl-2-methyloxolane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyloxolane is sourced from PubChem (CID 12735921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).