5-pent-4-ynoxypent-1-ene

C10H16O — CID 11228906

IUPAC5-pent-4-ynoxypent-1-ene
SMILESC#CCCCOCCCC=C
InChIInChI=1S/C10H16O/c1-3-5-7-9-11-10-8-6-4-2/h1,4H,2,5-10H2
InChIKeyYXYBQEFRBXVDPJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds7

About 5-pent-4-ynoxypent-1-ene

5-pent-4-ynoxypent-1-ene (PubChem CID 11228906) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-pent-4-ynoxypent-1-ene.

Molecular Properties

Compound Name5-pent-4-ynoxypent-1-ene
PubChem CID11228906
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5-pent-4-ynoxypent-1-ene
SMILESC#CCCCOCCCC=C
InChIInChI=1S/C10H16O/c1-3-5-7-9-11-10-8-6-4-2/h1,4H,2,5-10H2
InChIKeyYXYBQEFRBXVDPJ-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pent-4-ynoxypent-1-ene?
The IUPAC name of 5-pent-4-ynoxypent-1-ene (CID 11228906) is 5-pent-4-ynoxypent-1-ene.
What is the SMILES notation for 5-pent-4-ynoxypent-1-ene?
The canonical SMILES for 5-pent-4-ynoxypent-1-ene is C#CCCCOCCCC=C.
What is the InChIKey of 5-pent-4-ynoxypent-1-ene?
The InChIKey is YXYBQEFRBXVDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-7-9-11-10-8-6-4-2/h1,4H,2,5-10H2.
What are the key properties of 5-pent-4-ynoxypent-1-ene?
5-pent-4-ynoxypent-1-ene has a molecular weight of 152.24 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-ynoxypent-1-ene is sourced from PubChem (CID 11228906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).