oxaldehyde;propane-1,2-diol

C5H10O4 — CID 87878594

IUPACoxaldehyde;propane-1,2-diol
SMILESCC(O)CO.O=CC=O
InChIInChI=1S/C3H8O2.C2H2O2/c1-3(5)2-4;3-1-2-4/h3-5H,2H2,1H3;1-2H
InChIKeyQMLQBHUEXMEIRW-UHFFFAOYSA-N
MW134.13 g/mol
LogP-1.26
Rot. Bonds2

About oxaldehyde;propane-1,2-diol

oxaldehyde;propane-1,2-diol (PubChem CID 87878594) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is oxaldehyde;propane-1,2-diol.

Molecular Properties

Compound Nameoxaldehyde;propane-1,2-diol
PubChem CID87878594
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Nameoxaldehyde;propane-1,2-diol
SMILESCC(O)CO.O=CC=O
InChIInChI=1S/C3H8O2.C2H2O2/c1-3(5)2-4;3-1-2-4/h3-5H,2H2,1H3;1-2H
InChIKeyQMLQBHUEXMEIRW-UHFFFAOYSA-N
XLogP-1.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propane-1,2-diol
CID 23506506
nitroxyl;propane-1,2-diol
CID 175455323
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
propane-1,2-diol;selenous acid
CID 88681606
propane-1,2-diol;sulfuric acid
CID 87528272
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
propane-1,2-diol;sulfuric acid
CID 173459589

Frequently Asked Questions

What is the IUPAC name of oxaldehyde;propane-1,2-diol?
The IUPAC name of oxaldehyde;propane-1,2-diol (CID 87878594) is oxaldehyde;propane-1,2-diol.
What is the SMILES notation for oxaldehyde;propane-1,2-diol?
The canonical SMILES for oxaldehyde;propane-1,2-diol is CC(O)CO.O=CC=O.
What is the InChIKey of oxaldehyde;propane-1,2-diol?
The InChIKey is QMLQBHUEXMEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H2O2/c1-3(5)2-4;3-1-2-4/h3-5H,2H2,1H3;1-2H.
What are the key properties of oxaldehyde;propane-1,2-diol?
oxaldehyde;propane-1,2-diol has a molecular weight of 134.13 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;propane-1,2-diol is sourced from PubChem (CID 87878594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).