1-[(E)-prop-1-enoxy]ethenol

C5H8O2 — CID 140967802

IUPAC1-[(E)-prop-1-enoxy]ethenol
SMILESC=C(O)O/C=C/C
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4,6H,2H2,1H3/b4-3+
InChIKeyLXZITTHDWPBFNU-ONEGZZNKSA-N
MW100.12 g/mol
LogP1.57
Rot. Bonds2

About 1-[(E)-prop-1-enoxy]ethenol

1-[(E)-prop-1-enoxy]ethenol (PubChem CID 140967802) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]ethenol.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]ethenol
PubChem CID140967802
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name1-[(E)-prop-1-enoxy]ethenol
SMILESC=C(O)O/C=C/C
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4,6H,2H2,1H3/b4-3+
InChIKeyLXZITTHDWPBFNU-ONEGZZNKSA-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

2-[(Z)-prop-1-enoxy]pent-1-ene
CID 142914267
acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
[(E)-prop-1-enyl] acetate
CID 637917
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
2-[3-oxo-3-[(E)-prop-1-enoxy]prop-1-en-2-yl]butanedioic acid
CID 101281431
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
butanedioic acid;1-methoxyprop-1-ene;2-methylprop-1-ene
CID 159984843
[(Z)-prop-1-enyl] benzoate
CID 11412549
prop-1-enyl 2-cyano-2-methylpropanoate
CID 139826743
methoxysilane;prop-1-enyl acetate
CID 174837390

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enoxy]ethenol?
The IUPAC name of 1-[(E)-prop-1-enoxy]ethenol (CID 140967802) is 1-[(E)-prop-1-enoxy]ethenol.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]ethenol?
The canonical SMILES for 1-[(E)-prop-1-enoxy]ethenol is C=C(O)O/C=C/C.
What is the InChIKey of 1-[(E)-prop-1-enoxy]ethenol?
The InChIKey is LXZITTHDWPBFNU-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4,6H,2H2,1H3/b4-3+.
What are the key properties of 1-[(E)-prop-1-enoxy]ethenol?
1-[(E)-prop-1-enoxy]ethenol 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 1-[(E)-prop-1-enoxy]ethenol is sourced from PubChem (CID 140967802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).