acetaldehyde;ethane-1,2-diol

C4H10O3 — CID 22738127

IUPACacetaldehyde;ethane-1,2-diol
SMILESCC=O.OCCO
InChIInChI=1S/C2H6O2.C2H4O/c3-1-2-4;1-2-3/h3-4H,1-2H2;2H,1H3
InChIKeyZDBQKJXYCGZHTH-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.82
Rot. Bonds1

About acetaldehyde;ethane-1,2-diol

acetaldehyde;ethane-1,2-diol (PubChem CID 22738127) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is acetaldehyde;ethane-1,2-diol.

Molecular Properties

Compound Nameacetaldehyde;ethane-1,2-diol
PubChem CID22738127
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Nameacetaldehyde;ethane-1,2-diol
SMILESCC=O.OCCO
InChIInChI=1S/C2H6O2.C2H4O/c3-1-2-4;1-2-3/h3-4H,1-2H2;2H,1H3
InChIKeyZDBQKJXYCGZHTH-UHFFFAOYSA-N
XLogP-0.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 159165678
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acetaldehyde;methanol
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acetaldehyde;1-hydroxypropan-2-one
CID 159001588
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
acetaldehyde;bismuthane
CID 173068240
acetaldehyde;azane
CID 158638397
acetaldehyde;stibane
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acetaldehyde;germane
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acetaldehyde;gold
CID 173056569
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CID 172998417

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane-1,2-diol?
The IUPAC name of acetaldehyde;ethane-1,2-diol (CID 22738127) is acetaldehyde;ethane-1,2-diol.
What is the SMILES notation for acetaldehyde;ethane-1,2-diol?
The canonical SMILES for acetaldehyde;ethane-1,2-diol is CC=O.OCCO.
What is the InChIKey of acetaldehyde;ethane-1,2-diol?
The InChIKey is ZDBQKJXYCGZHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H4O/c3-1-2-4;1-2-3/h3-4H,1-2H2;2H,1H3.
What are the key properties of acetaldehyde;ethane-1,2-diol?
acetaldehyde;ethane-1,2-diol has a molecular weight of 106.12 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane-1,2-diol is sourced from PubChem (CID 22738127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).