prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate

C7H6O8 — CID 87843544

IUPACprop-2-enoxycarbonyloxycarbonyloxycarbonyl formate
SMILESC=CCOC(=O)OC(=O)OC(=O)OC=O
InChIInChI=1S/C7H6O8/c1-2-3-12-5(9)14-7(11)15-6(10)13-4-8/h2,4H,1,3H2
InChIKeyMCYQEPKLEJADGC-UHFFFAOYSA-N
MW218.12 g/mol
LogP0.76
Rot. Bonds3

About prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate

prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate (PubChem CID 87843544) has the molecular formula C7H6O8 and a molecular weight of 218.12 g/mol. Its IUPAC name is prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate.

Molecular Properties

Compound Nameprop-2-enoxycarbonyloxycarbonyloxycarbonyl formate
PubChem CID87843544
Molecular FormulaC7H6O8
Molecular Weight218.12 g/mol
Exact Mass218.01
IUPAC Nameprop-2-enoxycarbonyloxycarbonyloxycarbonyl formate
SMILESC=CCOC(=O)OC(=O)OC(=O)OC=O
InChIInChI=1S/C7H6O8/c1-2-3-12-5(9)14-7(11)15-6(10)13-4-8/h2,4H,1,3H2
InChIKeyMCYQEPKLEJADGC-UHFFFAOYSA-N
XLogP0.76
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) carbonate;ethene
CID 87465968
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
iodo prop-2-enyl carbonate
CID 87691823
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
carbamic acid;prop-2-enyl carbamate
CID 87466810
3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate
CID 23533996
2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
CID 87661731
2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
benzene;prop-2-enyl carbamate
CID 174893735
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
CID 140777128
CID 140777128

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate?
The IUPAC name of prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate (CID 87843544) is prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate.
What is the SMILES notation for prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate?
The canonical SMILES for prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate is C=CCOC(=O)OC(=O)OC(=O)OC=O.
What is the InChIKey of prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate?
The InChIKey is MCYQEPKLEJADGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O8/c1-2-3-12-5(9)14-7(11)15-6(10)13-4-8/h2,4H,1,3H2.
What are the key properties of prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate?
prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate has a molecular weight of 218.12 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate is sourced from PubChem (CID 87843544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).