but-2-ene-1,4-diol

C4H8O2 — CID 8065

IUPACbut-2-ene-1,4-diol
SMILESOCC=CCO
InChIInChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKeyORTVZLZNOYNASJ-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.47
Rot. Bonds2

About but-2-ene-1,4-diol

but-2-ene-1,4-diol (PubChem CID 8065) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is but-2-ene-1,4-diol.

Molecular Properties

Compound Namebut-2-ene-1,4-diol
PubChem CID8065
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Namebut-2-ene-1,4-diol
SMILESOCC=CCO
InChIInChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKeyORTVZLZNOYNASJ-UHFFFAOYSA-N
XLogP-0.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans,trans-2,4-Hexadien-1-ol
CID 641256
trans-2-Butene-1,4-diol
CID 175854
trans-Crotyl alcohol
CID 637922
(2Z)-2-Buten-1-ol
CID 643789
2-Buten-1-ol
CID 20024
2,4-Hexadien-1-OL
CID 8104
2-Butene-1,4-diol, (2Z)-
CID 643790
(2Z,4Z)-Hexa-2,4-diene-1,6-diol
CID 55251671
1,6-Dihydroxy-trans,trans-2,4-hexadiene
CID 6440316
2-Hexen-4-yn-1-ol
CID 556836
(2E,8E)-deca-2,8-dien-4,6-diyne-1,10-diol
CID 10057822
Deca-2,8-diene-4,6-diyne-1,10-diol
CID 71318082

Frequently Asked Questions

What is the IUPAC name of but-2-ene-1,4-diol?
The IUPAC name of but-2-ene-1,4-diol (CID 8065) is but-2-ene-1,4-diol.
What is the SMILES notation for but-2-ene-1,4-diol?
The canonical SMILES for but-2-ene-1,4-diol is OCC=CCO.
What is the InChIKey of but-2-ene-1,4-diol?
The InChIKey is ORTVZLZNOYNASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2.
What are the key properties of but-2-ene-1,4-diol?
but-2-ene-1,4-diol has a molecular weight of 88.11 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene-1,4-diol is sourced from PubChem (CID 8065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).