2-[(Z)-but-1-enyl]oxane

C9H16O — CID 154694976

IUPAC2-[(Z)-but-1-enyl]oxane
SMILESCC/C=C\C1CCCCO1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3-
InChIKeyNNRCOYIKFWGCHE-UTCJRWHESA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 2-[(Z)-but-1-enyl]oxane

2-[(Z)-but-1-enyl]oxane (PubChem CID 154694976) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]oxane.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]oxane
PubChem CID154694976
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-[(Z)-but-1-enyl]oxane
SMILESCC/C=C\C1CCCCO1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3-
InChIKeyNNRCOYIKFWGCHE-UTCJRWHESA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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 2-[(Z)-but-1-enyl]oxane?
The IUPAC name of 2-[(Z)-but-1-enyl]oxane (CID 154694976) is 2-[(Z)-but-1-enyl]oxane.
What is the SMILES notation for 2-[(Z)-but-1-enyl]oxane?
The canonical SMILES for 2-[(Z)-but-1-enyl]oxane is CC/C=C\C1CCCCO1.
What is the InChIKey of 2-[(Z)-but-1-enyl]oxane?
The InChIKey is NNRCOYIKFWGCHE-UTCJRWHESA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3-.
What are the key properties of 2-[(Z)-but-1-enyl]oxane?
2-[(Z)-but-1-enyl]oxane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]oxane is sourced from PubChem (CID 154694976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).