2-but-3-enyl-5-methoxyoxolane;ethane

C11H22O2 — CID 145014883

IUPAC2-but-3-enyl-5-methoxyoxolane;ethane
SMILESC=CCCC1CCC(OC)O1.CC
InChIInChI=1S/C9H16O2.C2H6/c1-3-4-5-8-6-7-9(10-2)11-8;1-2/h3,8-9H,1,4-7H2,2H3;1-2H3
InChIKeyIQRNUKSQPYWGTK-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds4

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

2-but-3-enyl-5-methoxyoxolane;ethane (PubChem CID 145014883) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-but-3-enyl-5-methoxyoxolane;ethane.

Molecular Properties

Compound Name2-but-3-enyl-5-methoxyoxolane;ethane
PubChem CID145014883
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-but-3-enyl-5-methoxyoxolane;ethane
SMILESC=CCCC1CCC(OC)O1.CC
InChIInChI=1S/C9H16O2.C2H6/c1-3-4-5-8-6-7-9(10-2)11-8;1-2/h3,8-9H,1,4-7H2,2H3;1-2H3
InChIKeyIQRNUKSQPYWGTK-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
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;ethane?
The IUPAC name of 2-but-3-enyl-5-methoxyoxolane;ethane (CID 145014883) is 2-but-3-enyl-5-methoxyoxolane;ethane.
What is the SMILES notation for 2-but-3-enyl-5-methoxyoxolane;ethane?
The canonical SMILES for 2-but-3-enyl-5-methoxyoxolane;ethane is C=CCCC1CCC(OC)O1.CC.
What is the InChIKey of 2-but-3-enyl-5-methoxyoxolane;ethane?
The InChIKey is IQRNUKSQPYWGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C2H6/c1-3-4-5-8-6-7-9(10-2)11-8;1-2/h3,8-9H,1,4-7H2,2H3;1-2H3.
What are the key properties of 2-but-3-enyl-5-methoxyoxolane;ethane?
2-but-3-enyl-5-methoxyoxolane;ethane has a molecular weight of 186.29 g/mol, XLogP of 3.13, 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;ethane is sourced from PubChem (CID 145014883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).