(E)-but-1-ene-1,2,3-triol

C4H8O3 — CID 158303583

IUPAC(E)-but-1-ene-1,2,3-triol
SMILESCC(O)/C(O)=C\O
InChIInChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-3,5-7H,1H3/b4-2+
InChIKeyPBOWIYLZAXQPEZ-DUXPYHPUSA-N
MW104.10 g/mol
LogP0.32
Rot. Bonds1

About (E)-but-1-ene-1,2,3-triol

(E)-but-1-ene-1,2,3-triol (PubChem CID 158303583) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is (E)-but-1-ene-1,2,3-triol.

Molecular Properties

Compound Name(E)-but-1-ene-1,2,3-triol
PubChem CID158303583
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Name(E)-but-1-ene-1,2,3-triol
SMILESCC(O)/C(O)=C\O
InChIInChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-3,5-7H,1H3/b4-2+
InChIKeyPBOWIYLZAXQPEZ-DUXPYHPUSA-N
XLogP0.32
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-but-1-ene-1,2,3-triol?
The IUPAC name of (E)-but-1-ene-1,2,3-triol (CID 158303583) is (E)-but-1-ene-1,2,3-triol.
What is the SMILES notation for (E)-but-1-ene-1,2,3-triol?
The canonical SMILES for (E)-but-1-ene-1,2,3-triol is CC(O)/C(O)=C\O.
What is the InChIKey of (E)-but-1-ene-1,2,3-triol?
The InChIKey is PBOWIYLZAXQPEZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-3,5-7H,1H3/b4-2+.
What are the key properties of (E)-but-1-ene-1,2,3-triol?
(E)-but-1-ene-1,2,3-triol has a molecular weight of 104.10 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-1-ene-1,2,3-triol is sourced from PubChem (CID 158303583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).