2-but-1-en-2-yloxane

C9H16O — CID 70645401

IUPAC2-but-1-en-2-yloxane
SMILESC=C(CC)C1CCCCO1
InChIInChI=1S/C9H16O/c1-3-8(2)9-6-4-5-7-10-9/h9H,2-7H2,1H3
InChIKeyZBQUNUJGYFCDRQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 2-but-1-en-2-yloxane

2-but-1-en-2-yloxane (PubChem CID 70645401) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-but-1-en-2-yloxane.

Molecular Properties

Compound Name2-but-1-en-2-yloxane
PubChem CID70645401
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-but-1-en-2-yloxane
SMILESC=C(CC)C1CCCCO1
InChIInChI=1S/C9H16O/c1-3-8(2)9-6-4-5-7-10-9/h9H,2-7H2,1H3
InChIKeyZBQUNUJGYFCDRQ-UHFFFAOYSA-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-but-1-en-2-yloxane?
The IUPAC name of 2-but-1-en-2-yloxane (CID 70645401) is 2-but-1-en-2-yloxane.
What is the SMILES notation for 2-but-1-en-2-yloxane?
The canonical SMILES for 2-but-1-en-2-yloxane is C=C(CC)C1CCCCO1.
What is the InChIKey of 2-but-1-en-2-yloxane?
The InChIKey is ZBQUNUJGYFCDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8(2)9-6-4-5-7-10-9/h9H,2-7H2,1H3.
What are the key properties of 2-but-1-en-2-yloxane?
2-but-1-en-2-yloxane 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-but-1-en-2-yloxane is sourced from PubChem (CID 70645401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).