1-pent-4-enoxypentane

C10H20O — CID 536440

IUPAC1-pent-4-enoxypentane
SMILESC=CCCCOCCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-10H2,2H3
InChIKeyMAXVGMWLQMEIEN-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds8

About 1-pent-4-enoxypentane

1-pent-4-enoxypentane (PubChem CID 536440) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-pent-4-enoxypentane.

Molecular Properties

Compound Name1-pent-4-enoxypentane
PubChem CID536440
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-pent-4-enoxypentane
SMILESC=CCCCOCCCCC
InChIInChI=1S/C10H20O/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-10H2,2H3
InChIKeyMAXVGMWLQMEIEN-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
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-enoxypentane?
The IUPAC name of 1-pent-4-enoxypentane (CID 536440) is 1-pent-4-enoxypentane.
What is the SMILES notation for 1-pent-4-enoxypentane?
The canonical SMILES for 1-pent-4-enoxypentane is C=CCCCOCCCCC.
What is the InChIKey of 1-pent-4-enoxypentane?
The InChIKey is MAXVGMWLQMEIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-10H2,2H3.
What are the key properties of 1-pent-4-enoxypentane?
1-pent-4-enoxypentane has a molecular weight of 156.27 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoxypentane is sourced from PubChem (CID 536440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).