3-methylideneoxolane

C5H8O — CID 11815817

IUPAC3-methylideneoxolane
SMILESC=C1CCOC1
InChIInChI=1S/C5H8O/c1-5-2-3-6-4-5/h1-4H2
InChIKeyTXBFKXDFIPFHAV-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.96
Rot. Bonds

About 3-methylideneoxolane

3-methylideneoxolane (PubChem CID 11815817) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 3-methylideneoxolane.

Molecular Properties

Compound Name3-methylideneoxolane
PubChem CID11815817
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name3-methylideneoxolane
SMILESC=C1CCOC1
InChIInChI=1S/C5H8O/c1-5-2-3-6-4-5/h1-4H2
InChIKeyTXBFKXDFIPFHAV-UHFFFAOYSA-N
XLogP0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.96
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 3-methylideneoxolane?
The IUPAC name of 3-methylideneoxolane (CID 11815817) is 3-methylideneoxolane.
What is the SMILES notation for 3-methylideneoxolane?
The canonical SMILES for 3-methylideneoxolane is C=C1CCOC1.
What is the InChIKey of 3-methylideneoxolane?
The InChIKey is TXBFKXDFIPFHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1-4H2.
What are the key properties of 3-methylideneoxolane?
3-methylideneoxolane has a molecular weight of 84.12 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneoxolane is sourced from PubChem (CID 11815817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).