2-but-3-enyl-5-methoxyoxolane

C9H16O2 — CID 145014884

IUPAC2-but-3-enyl-5-methoxyoxolane
SMILESC=CCCC1CCC(OC)O1
InChIInChI=1S/C9H16O2/c1-3-4-5-8-6-7-9(10-2)11-8/h3,8-9H,1,4-7H2,2H3
InChIKeyXVYDEFVPBXTLCF-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds4

About 2-but-3-enyl-5-methoxyoxolane

2-but-3-enyl-5-methoxyoxolane (PubChem CID 145014884) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-but-3-enyl-5-methoxyoxolane.

Molecular Properties

Compound Name2-but-3-enyl-5-methoxyoxolane
PubChem CID145014884
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-but-3-enyl-5-methoxyoxolane
SMILESC=CCCC1CCC(OC)O1
InChIInChI=1S/C9H16O2/c1-3-4-5-8-6-7-9(10-2)11-8/h3,8-9H,1,4-7H2,2H3
InChIKeyXVYDEFVPBXTLCF-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-methoxyoxolane?
The IUPAC name of 2-but-3-enyl-5-methoxyoxolane (CID 145014884) is 2-but-3-enyl-5-methoxyoxolane.
What is the SMILES notation for 2-but-3-enyl-5-methoxyoxolane?
The canonical SMILES for 2-but-3-enyl-5-methoxyoxolane is C=CCCC1CCC(OC)O1.
What is the InChIKey of 2-but-3-enyl-5-methoxyoxolane?
The InChIKey is XVYDEFVPBXTLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-8-6-7-9(10-2)11-8/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enyl-5-methoxyoxolane?
2-but-3-enyl-5-methoxyoxolane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-5-methoxyoxolane is sourced from PubChem (CID 145014884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).