2-but-3-enyl-4-methylideneoxolane

C9H14O — CID 10678303

IUPAC2-but-3-enyl-4-methylideneoxolane
SMILESC=CCCC1CC(=C)CO1
InChIInChI=1S/C9H14O/c1-3-4-5-9-6-8(2)7-10-9/h3,9H,1-2,4-7H2
InChIKeySHSGMINIAICNHK-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds3

About 2-but-3-enyl-4-methylideneoxolane

2-but-3-enyl-4-methylideneoxolane (PubChem CID 10678303) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-but-3-enyl-4-methylideneoxolane.

Molecular Properties

Compound Name2-but-3-enyl-4-methylideneoxolane
PubChem CID10678303
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-but-3-enyl-4-methylideneoxolane
SMILESC=CCCC1CC(=C)CO1
InChIInChI=1S/C9H14O/c1-3-4-5-9-6-8(2)7-10-9/h3,9H,1-2,4-7H2
InChIKeySHSGMINIAICNHK-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
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-but-3-enyl-4-methylideneoxolane?
The IUPAC name of 2-but-3-enyl-4-methylideneoxolane (CID 10678303) is 2-but-3-enyl-4-methylideneoxolane.
What is the SMILES notation for 2-but-3-enyl-4-methylideneoxolane?
The canonical SMILES for 2-but-3-enyl-4-methylideneoxolane is C=CCCC1CC(=C)CO1.
What is the InChIKey of 2-but-3-enyl-4-methylideneoxolane?
The InChIKey is SHSGMINIAICNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-9-6-8(2)7-10-9/h3,9H,1-2,4-7H2.
What are the key properties of 2-but-3-enyl-4-methylideneoxolane?
2-but-3-enyl-4-methylideneoxolane has a molecular weight of 138.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-4-methylideneoxolane is sourced from PubChem (CID 10678303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).