4-(hydroxymethyl)-1,3-dioxol-2-one

C4H4O4 — CID 19373541

IUPAC4-(hydroxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(CO)o1
InChIInChI=1S/C4H4O4/c5-1-3-2-7-4(6)8-3/h2,5H,1H2
InChIKeyIYADXFDWVMRNFK-UHFFFAOYSA-N
MW116.07 g/mol
LogP-0.27
Rot. Bonds1

About 4-(hydroxymethyl)-1,3-dioxol-2-one

4-(hydroxymethyl)-1,3-dioxol-2-one (PubChem CID 19373541) has the molecular formula C4H4O4 and a molecular weight of 116.07 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-dioxol-2-one
PubChem CID19373541
Molecular FormulaC4H4O4
Molecular Weight116.07 g/mol
Exact Mass116.01
IUPAC Name4-(hydroxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(CO)o1
InChIInChI=1S/C4H4O4/c5-1-3-2-7-4(6)8-3/h2,5H,1H2
InChIKeyIYADXFDWVMRNFK-UHFFFAOYSA-N
XLogP-0.27
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one
CID 10510878
Dioxol-5-ylmethanol
CID 17868908
4,5-Bis(hydroxymethyl)-1,3-dioxol-2-one
CID 20469010
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
3-Hydroxyprop-1-en-2-yl hydrogen carbonate
CID 54239186
4-(2,3-Dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one
CID 57074263
4-(Hydroxymethyl)-5-sulfanyl-1,3-dioxol-2-one
CID 134274216
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
4-(Hydroxymethyl)-1,3-dioxole-2-thione
CID 141032433
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol;hydrate
CID 141082860
1,3-Dioxol-4-ylmethanol;hydrate
CID 141124679

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(hydroxymethyl)-1,3-dioxol-2-one (CID 19373541) is 4-(hydroxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1,3-dioxol-2-one is O=c1occ(CO)o1.
What is the InChIKey of 4-(hydroxymethyl)-1,3-dioxol-2-one?
The InChIKey is IYADXFDWVMRNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4/c5-1-3-2-7-4(6)8-3/h2,5H,1H2.
What are the key properties of 4-(hydroxymethyl)-1,3-dioxol-2-one?
4-(hydroxymethyl)-1,3-dioxol-2-one has a molecular weight of 116.07 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 19373541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).