2-prop-2-ynoxyprop-1-ene

C6H8O — CID 15853200

IUPAC2-prop-2-ynoxyprop-1-ene
SMILESC#CCOC(=C)C
InChIInChI=1S/C6H8O/c1-4-5-7-6(2)3/h1H,2,5H2,3H3
InChIKeyCYWQOLHNKCATCL-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.17
Rot. Bonds2

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

2-prop-2-ynoxyprop-1-ene (PubChem CID 15853200) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-prop-2-ynoxyprop-1-ene.

Molecular Properties

Compound Name2-prop-2-ynoxyprop-1-ene
PubChem CID15853200
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-prop-2-ynoxyprop-1-ene
SMILESC#CCOC(=C)C
InChIInChI=1S/C6H8O/c1-4-5-7-6(2)3/h1H,2,5H2,3H3
InChIKeyCYWQOLHNKCATCL-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynoxyprop-1-ene?
The IUPAC name of 2-prop-2-ynoxyprop-1-ene (CID 15853200) is 2-prop-2-ynoxyprop-1-ene.
What is the SMILES notation for 2-prop-2-ynoxyprop-1-ene?
The canonical SMILES for 2-prop-2-ynoxyprop-1-ene is C#CCOC(=C)C.
What is the InChIKey of 2-prop-2-ynoxyprop-1-ene?
The InChIKey is CYWQOLHNKCATCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-4-5-7-6(2)3/h1H,2,5H2,3H3.
What are the key properties of 2-prop-2-ynoxyprop-1-ene?
2-prop-2-ynoxyprop-1-ene has a molecular weight of 96.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxyprop-1-ene is sourced from PubChem (CID 15853200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).