2-prop-1-en-2-yloxyethenol

C5H8O2 — CID 173282088

IUPAC2-prop-1-en-2-yloxyethenol
SMILESC=C(C)OC=CO
InChIInChI=1S/C5H8O2/c1-5(2)7-4-3-6/h3-4,6H,1H2,2H3
InChIKeyPUNRBINNTVTURH-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.57
Rot. Bonds2

About 2-prop-1-en-2-yloxyethenol

2-prop-1-en-2-yloxyethenol (PubChem CID 173282088) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-prop-1-en-2-yloxyethenol.

Molecular Properties

Compound Name2-prop-1-en-2-yloxyethenol
PubChem CID173282088
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-prop-1-en-2-yloxyethenol
SMILESC=C(C)OC=CO
InChIInChI=1S/C5H8O2/c1-5(2)7-4-3-6/h3-4,6H,1H2,2H3
InChIKeyPUNRBINNTVTURH-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 11078201
CID 11078201
1,2-bis(prop-1-en-2-yloxy)ethenol;prop-1-en-2-yloxysilane
CID 175422367
3-ethenyl-2-methylpenta-1,4-diene;yttrium
CID 158513176
(3R)-2-methylpenta-1,4-dien-3-ol
CID 102163423
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
fluoromethane;2-methoxyprop-1-ene
CID 143721713
1-[(E)-prop-1-enoxy]ethenol
CID 140967802
(1E)-1-methoxy-3-methylbuta-1,3-diene
CID 10877062
manganese;bis(prop-1-en-2-ol);yttrium
CID 21040249
2-prop-1-en-2-yloxypropan-2-olate
CID 20696270
(3E)-penta-1,3-diene-2,4-diol
CID 21340298
CID 14767166
CID 14767166

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yloxyethenol?
The IUPAC name of 2-prop-1-en-2-yloxyethenol (CID 173282088) is 2-prop-1-en-2-yloxyethenol.
What is the SMILES notation for 2-prop-1-en-2-yloxyethenol?
The canonical SMILES for 2-prop-1-en-2-yloxyethenol is C=C(C)OC=CO.
What is the InChIKey of 2-prop-1-en-2-yloxyethenol?
The InChIKey is PUNRBINNTVTURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-5(2)7-4-3-6/h3-4,6H,1H2,2H3.
What are the key properties of 2-prop-1-en-2-yloxyethenol?
2-prop-1-en-2-yloxyethenol has a molecular weight of 100.12 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yloxyethenol is sourced from PubChem (CID 173282088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).