2-ethenoxyprop-2-ene-1,1,1-triol

C5H8O4 — CID 141084890

IUPAC2-ethenoxyprop-2-ene-1,1,1-triol
SMILESC=COC(=C)C(O)(O)O
InChIInChI=1S/C5H8O4/c1-3-9-4(2)5(6,7)8/h3,6-8H,1-2H2
InChIKeyZHDJWUHIECLNAX-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.71
Rot. Bonds3

About 2-ethenoxyprop-2-ene-1,1,1-triol

2-ethenoxyprop-2-ene-1,1,1-triol (PubChem CID 141084890) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 2-ethenoxyprop-2-ene-1,1,1-triol.

Molecular Properties

Compound Name2-ethenoxyprop-2-ene-1,1,1-triol
PubChem CID141084890
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2-ethenoxyprop-2-ene-1,1,1-triol
SMILESC=COC(=C)C(O)(O)O
InChIInChI=1S/C5H8O4/c1-3-9-4(2)5(6,7)8/h3,6-8H,1-2H2
InChIKeyZHDJWUHIECLNAX-UHFFFAOYSA-N
XLogP-0.71
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethenoxy-4,4-dimethylpent-1-ene-3,3-diol
CID 141053307
2-ethenoxypent-1-ene-3,3-diol
CID 141053305
1-O,4-O-bis(ethenyl) (E)-but-2-enebis(thioate)
CID 139619661
1-ethenoxy-N,N-dimethylethenamine
CID 123147694
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl hydrogen carbonate;methane
CID 175034349
ethenyl acetate
CID 7904
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443
(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
3-chloro-2-ethenoxyprop-2-enoic acid
CID 129245177
ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate
CID 178083422
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyprop-2-ene-1,1,1-triol?
The IUPAC name of 2-ethenoxyprop-2-ene-1,1,1-triol (CID 141084890) is 2-ethenoxyprop-2-ene-1,1,1-triol.
What is the SMILES notation for 2-ethenoxyprop-2-ene-1,1,1-triol?
The canonical SMILES for 2-ethenoxyprop-2-ene-1,1,1-triol is C=COC(=C)C(O)(O)O.
What is the InChIKey of 2-ethenoxyprop-2-ene-1,1,1-triol?
The InChIKey is ZHDJWUHIECLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-3-9-4(2)5(6,7)8/h3,6-8H,1-2H2.
What are the key properties of 2-ethenoxyprop-2-ene-1,1,1-triol?
2-ethenoxyprop-2-ene-1,1,1-triol has a molecular weight of 132.11 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyprop-2-ene-1,1,1-triol is sourced from PubChem (CID 141084890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).