(E)-but-2-en-1-ol

C4H8O — CID 637922

IUPAC(E)-but-2-en-1-ol
SMILESC/C=C/CO
InChIInChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
InChIKeyWCASXYBKJHWFMY-NSCUHMNNSA-N
MW72.11 g/mol
LogP0.55
Rot. Bonds1

About (E)-but-2-en-1-ol

(E)-but-2-en-1-ol (PubChem CID 637922) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is (E)-but-2-en-1-ol.

Molecular Properties

Compound Name(E)-but-2-en-1-ol
PubChem CID637922
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name(E)-but-2-en-1-ol
SMILESC/C=C/CO
InChIInChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
InChIKeyWCASXYBKJHWFMY-NSCUHMNNSA-N
XLogP0.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-en-1-ol?
The IUPAC name of (E)-but-2-en-1-ol (CID 637922) is (E)-but-2-en-1-ol.
What is the SMILES notation for (E)-but-2-en-1-ol?
The canonical SMILES for (E)-but-2-en-1-ol is C/C=C/CO.
What is the InChIKey of (E)-but-2-en-1-ol?
The InChIKey is WCASXYBKJHWFMY-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+.
What are the key properties of (E)-but-2-en-1-ol?
(E)-but-2-en-1-ol has a molecular weight of 72.11 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-en-1-ol is sourced from PubChem (CID 637922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).