4-[(Z)-prop-1-enyl]oxane

C8H14O — CID 118136905

IUPAC4-[(Z)-prop-1-enyl]oxane
SMILESC/C=C\C1CCOCC1
InChIInChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h2-3,8H,4-7H2,1H3/b3-2-
InChIKeyXVPSVRLUDBEXBW-IHWYPQMZSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 4-[(Z)-prop-1-enyl]oxane

4-[(Z)-prop-1-enyl]oxane (PubChem CID 118136905) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]oxane.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]oxane
PubChem CID118136905
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-[(Z)-prop-1-enyl]oxane
SMILESC/C=C\C1CCOCC1
InChIInChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h2-3,8H,4-7H2,1H3/b3-2-
InChIKeyXVPSVRLUDBEXBW-IHWYPQMZSA-N
XLogP1.99
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 ≤ 51.99
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 4-[(Z)-prop-1-enyl]oxane?
The IUPAC name of 4-[(Z)-prop-1-enyl]oxane (CID 118136905) is 4-[(Z)-prop-1-enyl]oxane.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]oxane?
The canonical SMILES for 4-[(Z)-prop-1-enyl]oxane is C/C=C\C1CCOCC1.
What is the InChIKey of 4-[(Z)-prop-1-enyl]oxane?
The InChIKey is XVPSVRLUDBEXBW-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h2-3,8H,4-7H2,1H3/b3-2-.
What are the key properties of 4-[(Z)-prop-1-enyl]oxane?
4-[(Z)-prop-1-enyl]oxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enyl]oxane is sourced from PubChem (CID 118136905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).