but-1-ene-1,1,4,4-tetrol

C4H8O4 — CID 74421723

IUPACbut-1-ene-1,1,4,4-tetrol
SMILESOC(O)=CCC(O)O
InChIInChI=1S/C4H8O4/c5-3(6)1-2-4(7)8/h1,4-8H,2H2
InChIKeyMMTRNBJBIZUPHO-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.36
Rot. Bonds2

About but-1-ene-1,1,4,4-tetrol

but-1-ene-1,1,4,4-tetrol (PubChem CID 74421723) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is but-1-ene-1,1,4,4-tetrol.

Molecular Properties

Compound Namebut-1-ene-1,1,4,4-tetrol
PubChem CID74421723
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Namebut-1-ene-1,1,4,4-tetrol
SMILESOC(O)=CCC(O)O
InChIInChI=1S/C4H8O4/c5-3(6)1-2-4(7)8/h1,4-8H,2H2
InChIKeyMMTRNBJBIZUPHO-UHFFFAOYSA-N
XLogP-0.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of but-1-ene-1,1,4,4-tetrol?
The IUPAC name of but-1-ene-1,1,4,4-tetrol (CID 74421723) is but-1-ene-1,1,4,4-tetrol.
What is the SMILES notation for but-1-ene-1,1,4,4-tetrol?
The canonical SMILES for but-1-ene-1,1,4,4-tetrol is OC(O)=CCC(O)O.
What is the InChIKey of but-1-ene-1,1,4,4-tetrol?
The InChIKey is MMTRNBJBIZUPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c5-3(6)1-2-4(7)8/h1,4-8H,2H2.
What are the key properties of but-1-ene-1,1,4,4-tetrol?
but-1-ene-1,1,4,4-tetrol has a molecular weight of 120.10 g/mol, XLogP of -0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene-1,1,4,4-tetrol is sourced from PubChem (CID 74421723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).