[4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone

C5H4O4 — CID 141388089

IUPAC[4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone
SMILESO=C=C1OC=C(CO)O1
InChIInChI=1S/C5H4O4/c6-1-4-3-8-5(2-7)9-4/h3,6H,1H2
InChIKeyJESAVPDPGHDXMQ-UHFFFAOYSA-N
MW128.08 g/mol
LogP-0.46
Rot. Bonds1

About [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone

[4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone (PubChem CID 141388089) has the molecular formula C5H4O4 and a molecular weight of 128.08 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone
PubChem CID141388089
Molecular FormulaC5H4O4
Molecular Weight128.08 g/mol
Exact Mass128.01
IUPAC Name[4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone
SMILESO=C=C1OC=C(CO)O1
InChIInChI=1S/C5H4O4/c6-1-4-3-8-5(2-7)9-4/h3,6H,1H2
InChIKeyJESAVPDPGHDXMQ-UHFFFAOYSA-N
XLogP-0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.08
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dioxol-5-ylmethanol
CID 17868908
4-(Hydroxymethyl)-1,3-dioxol-2-one
CID 19373541
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
(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
(2-Ethyl-2-methyl-1,3-dioxol-4-yl)methanol
CID 141337268
[2-[4-(Hydroxymethyl)-1,3-dioxol-2-ylidene]-1,3-dioxol-4-yl]methanol
CID 153675593

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone?
The IUPAC name of [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone (CID 141388089) is [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone.
What is the SMILES notation for [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone?
The canonical SMILES for [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone is O=C=C1OC=C(CO)O1.
What is the InChIKey of [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone?
The InChIKey is JESAVPDPGHDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O4/c6-1-4-3-8-5(2-7)9-4/h3,6H,1H2.
What are the key properties of [4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone?
[4-(hydroxymethyl)-1,3-dioxol-2-ylidene]methanone has a molecular weight of 128.08 g/mol, XLogP of -0.46, 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-ylidene]methanone is sourced from PubChem (CID 141388089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).