(2-oxo-1,3-dioxol-4-yl)methyl formate

C5H4O5 — CID 19759602

IUPAC(2-oxo-1,3-dioxol-4-yl)methyl formate
SMILESO=COCc1coc(=O)o1
InChIInChI=1S/C5H4O5/c6-3-8-1-4-2-9-5(7)10-4/h2-3H,1H2
InChIKeyVZDDMUYLLLKLPO-UHFFFAOYSA-N
MW144.08 g/mol
LogP-0.09
Rot. Bonds3

About (2-oxo-1,3-dioxol-4-yl)methyl formate

(2-oxo-1,3-dioxol-4-yl)methyl formate (PubChem CID 19759602) has the molecular formula C5H4O5 and a molecular weight of 144.08 g/mol. Its IUPAC name is (2-oxo-1,3-dioxol-4-yl)methyl formate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxol-4-yl)methyl formate
PubChem CID19759602
Molecular FormulaC5H4O5
Molecular Weight144.08 g/mol
Exact Mass144.01
IUPAC Name(2-oxo-1,3-dioxol-4-yl)methyl formate
SMILESO=COCc1coc(=O)o1
InChIInChI=1S/C5H4O5/c6-3-8-1-4-2-9-5(7)10-4/h2-3H,1H2
InChIKeyVZDDMUYLLLKLPO-UHFFFAOYSA-N
XLogP-0.09
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.08
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl formate
CID 10702077
4-Methylene-1,3-dioxolan-2-one
CID 13157020
4-(Difluoromethoxymethyl)-1,3-dioxol-2-one
CID 153312380
4-[(4-Fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one
CID 170152528
4-(Methoxymethyl)-1,3-dioxol-2-one
CID 20537317
(2-Oxo-1,3-dioxol-4-yl)methyl acetate
CID 21345008
4-(Prop-2-enoxymethyl)-1,3-dioxol-2-one
CID 54230514
5-methoxy-4H-1,3-dioxin-2-one
CID 89056103
1,3-Dioxol-4-ylmethyl formate
CID 89387562
4-Methoxy-5-methylidene-1,3-dioxolan-2-one
CID 89426147
Methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 90440419
4-(Ethoxymethyl)-1,3-dioxol-2-one
CID 118972507

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxol-4-yl)methyl formate?
The IUPAC name of (2-oxo-1,3-dioxol-4-yl)methyl formate (CID 19759602) is (2-oxo-1,3-dioxol-4-yl)methyl formate.
What is the SMILES notation for (2-oxo-1,3-dioxol-4-yl)methyl formate?
The canonical SMILES for (2-oxo-1,3-dioxol-4-yl)methyl formate is O=COCc1coc(=O)o1.
What is the InChIKey of (2-oxo-1,3-dioxol-4-yl)methyl formate?
The InChIKey is VZDDMUYLLLKLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O5/c6-3-8-1-4-2-9-5(7)10-4/h2-3H,1H2.
What are the key properties of (2-oxo-1,3-dioxol-4-yl)methyl formate?
(2-oxo-1,3-dioxol-4-yl)methyl formate has a molecular weight of 144.08 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxol-4-yl)methyl formate is sourced from PubChem (CID 19759602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).