1-pent-4-enoxyhexane

C11H22O — CID 15643642

IUPAC1-pent-4-enoxyhexane
SMILESC=CCCCOCCCCCC
InChIInChI=1S/C11H22O/c1-3-5-7-9-11-12-10-8-6-4-2/h4H,2-3,5-11H2,1H3
InChIKeyQJEIXYKKHNSFNM-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds9

About 1-pent-4-enoxyhexane

1-pent-4-enoxyhexane (PubChem CID 15643642) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-pent-4-enoxyhexane.

Molecular Properties

Compound Name1-pent-4-enoxyhexane
PubChem CID15643642
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-pent-4-enoxyhexane
SMILESC=CCCCOCCCCCC
InChIInChI=1S/C11H22O/c1-3-5-7-9-11-12-10-8-6-4-2/h4H,2-3,5-11H2,1H3
InChIKeyQJEIXYKKHNSFNM-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-pent-4-enoxyhexane?
The IUPAC name of 1-pent-4-enoxyhexane (CID 15643642) is 1-pent-4-enoxyhexane.
What is the SMILES notation for 1-pent-4-enoxyhexane?
The canonical SMILES for 1-pent-4-enoxyhexane is C=CCCCOCCCCCC.
What is the InChIKey of 1-pent-4-enoxyhexane?
The InChIKey is QJEIXYKKHNSFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-7-9-11-12-10-8-6-4-2/h4H,2-3,5-11H2,1H3.
What are the key properties of 1-pent-4-enoxyhexane?
1-pent-4-enoxyhexane has a molecular weight of 170.30 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoxyhexane is sourced from PubChem (CID 15643642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).