2,2-bis(ethenyl)oxolane

C8H12O — CID 121255179

IUPAC2,2-bis(ethenyl)oxolane
SMILESC=CC1(C=C)CCCO1
InChIInChI=1S/C8H12O/c1-3-8(4-2)6-5-7-9-8/h3-4H,1-2,5-7H2
InChIKeyNWRQECKGIJYTPP-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds2

About 2,2-bis(ethenyl)oxolane

2,2-bis(ethenyl)oxolane (PubChem CID 121255179) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2,2-bis(ethenyl)oxolane.

Molecular Properties

Compound Name2,2-bis(ethenyl)oxolane
PubChem CID121255179
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2,2-bis(ethenyl)oxolane
SMILESC=CC1(C=C)CCCO1
InChIInChI=1S/C8H12O/c1-3-8(4-2)6-5-7-9-8/h3-4H,1-2,5-7H2
InChIKeyNWRQECKGIJYTPP-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
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 2,2-bis(ethenyl)oxolane?
The IUPAC name of 2,2-bis(ethenyl)oxolane (CID 121255179) is 2,2-bis(ethenyl)oxolane.
What is the SMILES notation for 2,2-bis(ethenyl)oxolane?
The canonical SMILES for 2,2-bis(ethenyl)oxolane is C=CC1(C=C)CCCO1.
What is the InChIKey of 2,2-bis(ethenyl)oxolane?
The InChIKey is NWRQECKGIJYTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-8(4-2)6-5-7-9-8/h3-4H,1-2,5-7H2.
What are the key properties of 2,2-bis(ethenyl)oxolane?
2,2-bis(ethenyl)oxolane has a molecular weight of 124.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenyl)oxolane is sourced from PubChem (CID 121255179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).