but-2-ene-1,4-diol;propanoic acid

C10H20O6 — CID 71351033

IUPACbut-2-ene-1,4-diol;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.OCC=CCO
InChIInChI=1S/C4H8O2.2C3H6O2/c5-3-1-2-4-6;2*1-2-3(4)5/h1-2,5-6H,3-4H2;2*2H2,1H3,(H,4,5)
InChIKeyIXYNMBFUNYVOQN-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.49
Rot. Bonds4

About but-2-ene-1,4-diol;propanoic acid

but-2-ene-1,4-diol;propanoic acid (PubChem CID 71351033) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is but-2-ene-1,4-diol;propanoic acid.

Molecular Properties

Compound Namebut-2-ene-1,4-diol;propanoic acid
PubChem CID71351033
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Namebut-2-ene-1,4-diol;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.OCC=CCO
InChIInChI=1S/C4H8O2.2C3H6O2/c5-3-1-2-4-6;2*1-2-3(4)5/h1-2,5-6H,3-4H2;2*2H2,1H3,(H,4,5)
InChIKeyIXYNMBFUNYVOQN-UHFFFAOYSA-N
XLogP0.49
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 87066971
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CID 87391840
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Frequently Asked Questions

What is the IUPAC name of but-2-ene-1,4-diol;propanoic acid?
The IUPAC name of but-2-ene-1,4-diol;propanoic acid (CID 71351033) is but-2-ene-1,4-diol;propanoic acid.
What is the SMILES notation for but-2-ene-1,4-diol;propanoic acid?
The canonical SMILES for but-2-ene-1,4-diol;propanoic acid is CCC(=O)O.CCC(=O)O.OCC=CCO.
What is the InChIKey of but-2-ene-1,4-diol;propanoic acid?
The InChIKey is IXYNMBFUNYVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2C3H6O2/c5-3-1-2-4-6;2*1-2-3(4)5/h1-2,5-6H,3-4H2;2*2H2,1H3,(H,4,5).
What are the key properties of but-2-ene-1,4-diol;propanoic acid?
but-2-ene-1,4-diol;propanoic acid has a molecular weight of 236.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene-1,4-diol;propanoic acid is sourced from PubChem (CID 71351033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).