2-[(E)-prop-1-enyl]oxane

C8H14O — CID 11412382

IUPAC2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCCCO1
InChIInChI=1S/C8H14O/c1-2-5-8-6-3-4-7-9-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyRXQQSDLUTUFMLZ-GORDUTHDSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About 2-[(E)-prop-1-enyl]oxane

2-[(E)-prop-1-enyl]oxane (PubChem CID 11412382) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]oxane.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]oxane
PubChem CID11412382
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCCCO1
InChIInChI=1S/C8H14O/c1-2-5-8-6-3-4-7-9-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyRXQQSDLUTUFMLZ-GORDUTHDSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-prop-1-enyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]oxane?
The IUPAC name of 2-[(E)-prop-1-enyl]oxane (CID 11412382) is 2-[(E)-prop-1-enyl]oxane.
What is the SMILES notation for 2-[(E)-prop-1-enyl]oxane?
The canonical SMILES for 2-[(E)-prop-1-enyl]oxane is C/C=C/C1CCCCO1.
What is the InChIKey of 2-[(E)-prop-1-enyl]oxane?
The InChIKey is RXQQSDLUTUFMLZ-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14O/c1-2-5-8-6-3-4-7-9-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 2-[(E)-prop-1-enyl]oxane?
2-[(E)-prop-1-enyl]oxane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]oxane is sourced from PubChem (CID 11412382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).