3-prop-2-ynoxyprop-1-ene

C6H8O — CID 10872638

IUPAC3-prop-2-ynoxyprop-1-ene
SMILESC#CCOCC=C
InChIInChI=1S/C6H8O/c1-3-5-7-6-4-2/h1,4H,2,5-6H2
InChIKeyGAQOILKTBJWUQM-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.82
Rot. Bonds3

About 3-prop-2-ynoxyprop-1-ene

3-prop-2-ynoxyprop-1-ene (PubChem CID 10872638) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-prop-2-ynoxyprop-1-ene.

Molecular Properties

Compound Name3-prop-2-ynoxyprop-1-ene
PubChem CID10872638
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name3-prop-2-ynoxyprop-1-ene
SMILESC#CCOCC=C
InChIInChI=1S/C6H8O/c1-3-5-7-6-4-2/h1,4H,2,5-6H2
InChIKeyGAQOILKTBJWUQM-UHFFFAOYSA-N
XLogP0.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.82
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 3-prop-2-ynoxyprop-1-ene?
The IUPAC name of 3-prop-2-ynoxyprop-1-ene (CID 10872638) is 3-prop-2-ynoxyprop-1-ene.
What is the SMILES notation for 3-prop-2-ynoxyprop-1-ene?
The canonical SMILES for 3-prop-2-ynoxyprop-1-ene is C#CCOCC=C.
What is the InChIKey of 3-prop-2-ynoxyprop-1-ene?
The InChIKey is GAQOILKTBJWUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1,4H,2,5-6H2.
What are the key properties of 3-prop-2-ynoxyprop-1-ene?
3-prop-2-ynoxyprop-1-ene has a molecular weight of 96.13 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxyprop-1-ene is sourced from PubChem (CID 10872638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).