2-[(E)-pent-3-enyl]oxane

C10H18O — CID 12860235

IUPAC2-[(E)-pent-3-enyl]oxane
SMILESC/C=C/CCC1CCCCO1
InChIInChI=1S/C10H18O/c1-2-3-4-7-10-8-5-6-9-11-10/h2-3,10H,4-9H2,1H3/b3-2+
InChIKeyOHNBYTFURWFYRM-NSCUHMNNSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds3

About 2-[(E)-pent-3-enyl]oxane

2-[(E)-pent-3-enyl]oxane (PubChem CID 12860235) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(E)-pent-3-enyl]oxane.

Molecular Properties

Compound Name2-[(E)-pent-3-enyl]oxane
PubChem CID12860235
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(E)-pent-3-enyl]oxane
SMILESC/C=C/CCC1CCCCO1
InChIInChI=1S/C10H18O/c1-2-3-4-7-10-8-5-6-9-11-10/h2-3,10H,4-9H2,1H3/b3-2+
InChIKeyOHNBYTFURWFYRM-NSCUHMNNSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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-[(E)-pent-3-enyl]oxane?
The IUPAC name of 2-[(E)-pent-3-enyl]oxane (CID 12860235) is 2-[(E)-pent-3-enyl]oxane.
What is the SMILES notation for 2-[(E)-pent-3-enyl]oxane?
The canonical SMILES for 2-[(E)-pent-3-enyl]oxane is C/C=C/CCC1CCCCO1.
What is the InChIKey of 2-[(E)-pent-3-enyl]oxane?
The InChIKey is OHNBYTFURWFYRM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-7-10-8-5-6-9-11-10/h2-3,10H,4-9H2,1H3/b3-2+.
What are the key properties of 2-[(E)-pent-3-enyl]oxane?
2-[(E)-pent-3-enyl]oxane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-3-enyl]oxane is sourced from PubChem (CID 12860235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).