2-pent-4-enoxyoxane

C10H18O2 — CID 10261528

IUPAC2-pent-4-enoxyoxane
SMILESC=CCCCOC1CCCCO1
InChIInChI=1S/C10H18O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h2,10H,1,3-9H2
InChIKeyAKJZBRLPMYBWCF-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds5

About 2-pent-4-enoxyoxane

2-pent-4-enoxyoxane (PubChem CID 10261528) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-pent-4-enoxyoxane.

Molecular Properties

Compound Name2-pent-4-enoxyoxane
PubChem CID10261528
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-pent-4-enoxyoxane
SMILESC=CCCCOC1CCCCO1
InChIInChI=1S/C10H18O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h2,10H,1,3-9H2
InChIKeyAKJZBRLPMYBWCF-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enoxyoxane?
The IUPAC name of 2-pent-4-enoxyoxane (CID 10261528) is 2-pent-4-enoxyoxane.
What is the SMILES notation for 2-pent-4-enoxyoxane?
The canonical SMILES for 2-pent-4-enoxyoxane is C=CCCCOC1CCCCO1.
What is the InChIKey of 2-pent-4-enoxyoxane?
The InChIKey is AKJZBRLPMYBWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h2,10H,1,3-9H2.
What are the key properties of 2-pent-4-enoxyoxane?
2-pent-4-enoxyoxane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoxyoxane is sourced from PubChem (CID 10261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).