3-but-3-en-2-yloxolane

C8H14O — CID 123728431

IUPAC3-but-3-en-2-yloxolane
SMILESC=CC(C)C1CCOC1
InChIInChI=1S/C8H14O/c1-3-7(2)8-4-5-9-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyVQWAUGYYFOKNTR-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.85
Rot. Bonds2

About 3-but-3-en-2-yloxolane

3-but-3-en-2-yloxolane (PubChem CID 123728431) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-but-3-en-2-yloxolane.

Molecular Properties

Compound Name3-but-3-en-2-yloxolane
PubChem CID123728431
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-but-3-en-2-yloxolane
SMILESC=CC(C)C1CCOC1
InChIInChI=1S/C8H14O/c1-3-7(2)8-4-5-9-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyVQWAUGYYFOKNTR-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Butan-2-yl-2,3-dihydrofuran
CID 549617
(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane
CID 174083422
3-[(E)-but-2-enyl]-2,2-dimethyloxolane
CID 91992792
(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane
CID 14106817
(2R,3S)-3-ethenyl-2-methyloxolane
CID 134993235
3-Prop-2-enyloxolane
CID 22481091
3-Ethenyl-2,2,4,4-tetramethyloxolane
CID 23405373
4-propan-2-yl-3,4-dihydro-2H-pyran
CID 58548469
3-Ethenyl-2-methyloxolane
CID 69533067
3-Ethenyl-2,2-dimethyloxolane
CID 70126391
3-But-2-enyl-2,2-dimethyloxolane
CID 85768215
(2R,3S,4R,5S)-2-ethenyl-3,4-dimethyl-5-tritiooxolane
CID 89547780

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yloxolane?
The IUPAC name of 3-but-3-en-2-yloxolane (CID 123728431) is 3-but-3-en-2-yloxolane.
What is the SMILES notation for 3-but-3-en-2-yloxolane?
The canonical SMILES for 3-but-3-en-2-yloxolane is C=CC(C)C1CCOC1.
What is the InChIKey of 3-but-3-en-2-yloxolane?
The InChIKey is VQWAUGYYFOKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7(2)8-4-5-9-6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-but-3-en-2-yloxolane?
3-but-3-en-2-yloxolane has a molecular weight of 126.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxolane is sourced from PubChem (CID 123728431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).