4-hydroxyoxolane-2-carbaldehyde;methane

C6H12O3 — CID 174776878

IUPAC4-hydroxyoxolane-2-carbaldehyde;methane
SMILESC.O=CC1CC(O)CO1
InChIInChI=1S/C5H8O3.CH4/c6-2-5-1-4(7)3-8-5;/h2,4-5,7H,1,3H2;1H4
InChIKeyWIAZTBAODMXUEE-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.03
Rot. Bonds1

About 4-hydroxyoxolane-2-carbaldehyde;methane

4-hydroxyoxolane-2-carbaldehyde;methane (PubChem CID 174776878) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 4-hydroxyoxolane-2-carbaldehyde;methane.

Molecular Properties

Compound Name4-hydroxyoxolane-2-carbaldehyde;methane
PubChem CID174776878
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name4-hydroxyoxolane-2-carbaldehyde;methane
SMILESC.O=CC1CC(O)CO1
InChIInChI=1S/C5H8O3.CH4/c6-2-5-1-4(7)3-8-5;/h2,4-5,7H,1,3H2;1H4
InChIKeyWIAZTBAODMXUEE-UHFFFAOYSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-aminooxolane-2-carbaldehyde
CID 174912093
oxirane-2-carbaldehyde;silane
CID 173157957
4-hydroxy-6-sulfanyloxane-2-carbaldehyde
CID 163884089
(2R,4R)-4-hydroxyoxolane-2-carboxylic acid
CID 13314189
(4S)-oxolane-2,4-diol
CID 16655459
(4R)-4-propyloxolane-2-carbaldehyde
CID 174984607
(4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde
CID 175073383
(2S,5S)-5-methyl-1,4-dioxane-2-carbaldehyde
CID 123278427
(4S)-4-hydroxyoxolane-2-carboxamide
CID 91612215
bis(oxirane-2-carbaldehyde);propane-1,2,3-triol
CID 22507450
(2S,3R,5S)-2-ethyloxane-3,5-diol
CID 148598014
oxirane-2-carbaldehyde;propane-1,2,3-triol
CID 87531271

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyoxolane-2-carbaldehyde;methane?
The IUPAC name of 4-hydroxyoxolane-2-carbaldehyde;methane (CID 174776878) is 4-hydroxyoxolane-2-carbaldehyde;methane.
What is the SMILES notation for 4-hydroxyoxolane-2-carbaldehyde;methane?
The canonical SMILES for 4-hydroxyoxolane-2-carbaldehyde;methane is C.O=CC1CC(O)CO1.
What is the InChIKey of 4-hydroxyoxolane-2-carbaldehyde;methane?
The InChIKey is WIAZTBAODMXUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.CH4/c6-2-5-1-4(7)3-8-5;/h2,4-5,7H,1,3H2;1H4.
What are the key properties of 4-hydroxyoxolane-2-carbaldehyde;methane?
4-hydroxyoxolane-2-carbaldehyde;methane has a molecular weight of 132.16 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyoxolane-2-carbaldehyde;methane is sourced from PubChem (CID 174776878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).