carboxy 2-ethoxybutylperoxy carbonate

C8H14O8 — CID 175477592

IUPACcarboxy 2-ethoxybutylperoxy carbonate
SMILESCCOC(CC)COOOC(=O)OC(=O)O
InChIInChI=1S/C8H14O8/c1-3-6(12-4-2)5-13-16-15-8(11)14-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyCUJOENWHTOCVNM-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.50
Rot. Bonds7

About carboxy 2-ethoxybutylperoxy carbonate

carboxy 2-ethoxybutylperoxy carbonate (PubChem CID 175477592) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is carboxy 2-ethoxybutylperoxy carbonate.

Molecular Properties

Compound Namecarboxy 2-ethoxybutylperoxy carbonate
PubChem CID175477592
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Namecarboxy 2-ethoxybutylperoxy carbonate
SMILESCCOC(CC)COOOC(=O)OC(=O)O
InChIInChI=1S/C8H14O8/c1-3-6(12-4-2)5-13-16-15-8(11)14-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyCUJOENWHTOCVNM-UHFFFAOYSA-N
XLogP1.50
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

carboxy 6,6-diethoxyhexylperoxy carbonate
CID 154199537
2-ethoxybutyl ethyl carbonate
CID 87247683
2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647
1-(2-ethoxybutoxy)hexan-2-yl hydrogen carbonate
CID 87842945
3-ethoxypentyl hydrogen carbonate
CID 139923320
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774
benzene;1,2-diethoxybutane
CID 67553171
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
2-ethoxypentyl hydrogen carbonate
CID 139923190
(2S)-2-ethoxybutan-1-ol
CID 89167253
butoxyperoxycarbonyl butylperoxy carbonate
CID 87090676
carboxy 1,1-diethoxyhexylperoxy carbonate
CID 122421997

Frequently Asked Questions

What is the IUPAC name of carboxy 2-ethoxybutylperoxy carbonate?
The IUPAC name of carboxy 2-ethoxybutylperoxy carbonate (CID 175477592) is carboxy 2-ethoxybutylperoxy carbonate.
What is the SMILES notation for carboxy 2-ethoxybutylperoxy carbonate?
The canonical SMILES for carboxy 2-ethoxybutylperoxy carbonate is CCOC(CC)COOOC(=O)OC(=O)O.
What is the InChIKey of carboxy 2-ethoxybutylperoxy carbonate?
The InChIKey is CUJOENWHTOCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O8/c1-3-6(12-4-2)5-13-16-15-8(11)14-7(9)10/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of carboxy 2-ethoxybutylperoxy carbonate?
carboxy 2-ethoxybutylperoxy carbonate has a molecular weight of 238.19 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy 2-ethoxybutylperoxy carbonate is sourced from PubChem (CID 175477592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).