2-formyloxypropan-2-yl formate

C5H8O4 — CID 59185551

IUPAC2-formyloxypropan-2-yl formate
SMILESCC(C)(OC=O)OC=O
InChIInChI=1S/C5H8O4/c1-5(2,8-3-6)9-4-7/h3-4H,1-2H3
InChIKeyCUUHMHVFSMZOAF-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.07
Rot. Bonds4

About 2-formyloxypropan-2-yl formate

2-formyloxypropan-2-yl formate (PubChem CID 59185551) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 2-formyloxypropan-2-yl formate.

Molecular Properties

Compound Name2-formyloxypropan-2-yl formate
PubChem CID59185551
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name2-formyloxypropan-2-yl formate
SMILESCC(C)(OC=O)OC=O
InChIInChI=1S/C5H8O4/c1-5(2,8-3-6)9-4-7/h3-4H,1-2H3
InChIKeyCUUHMHVFSMZOAF-UHFFFAOYSA-N
XLogP0.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyloxypropan-2-yl formate?
The IUPAC name of 2-formyloxypropan-2-yl formate (CID 59185551) is 2-formyloxypropan-2-yl formate.
What is the SMILES notation for 2-formyloxypropan-2-yl formate?
The canonical SMILES for 2-formyloxypropan-2-yl formate is CC(C)(OC=O)OC=O.
What is the InChIKey of 2-formyloxypropan-2-yl formate?
The InChIKey is CUUHMHVFSMZOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-5(2,8-3-6)9-4-7/h3-4H,1-2H3.
What are the key properties of 2-formyloxypropan-2-yl formate?
2-formyloxypropan-2-yl formate has a molecular weight of 132.12 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxypropan-2-yl formate is sourced from PubChem (CID 59185551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).