ethyl 2-ethylperoxycarbonylpentanoate

C10H18O5 — CID 174863667

IUPACethyl 2-ethylperoxycarbonylpentanoate
SMILESCCCC(C(=O)OCC)C(=O)OOCC
InChIInChI=1S/C10H18O5/c1-4-7-8(9(11)13-5-2)10(12)15-14-6-3/h8H,4-7H2,1-3H3
InChIKeyFGVZHHKFWWGEJJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.46
Rot. Bonds7

About ethyl 2-ethylperoxycarbonylpentanoate

ethyl 2-ethylperoxycarbonylpentanoate (PubChem CID 174863667) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is ethyl 2-ethylperoxycarbonylpentanoate.

Molecular Properties

Compound Nameethyl 2-ethylperoxycarbonylpentanoate
PubChem CID174863667
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Nameethyl 2-ethylperoxycarbonylpentanoate
SMILESCCCC(C(=O)OCC)C(=O)OOCC
InChIInChI=1S/C10H18O5/c1-4-7-8(9(11)13-5-2)10(12)15-14-6-3/h8H,4-7H2,1-3H3
InChIKeyFGVZHHKFWWGEJJ-UHFFFAOYSA-N
XLogP1.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
diethyl 2-(2-bromoethyl)propanedioate
CID 19738440
diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
CID 25178903
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421
diethyl 2-(2-propoxyethyl)propanedioate
CID 106454926
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733
ethyl 2-(cyclopropanecarbonyl)pentanoate
CID 83049474
bis(but-3-ynyl) 2-propylpropanedioate
CID 130209983
diethyl 2-(iodomethyl)propanedioate
CID 71339629
ethyl 5,5,5-trifluoro-3-oxo-2-propylpentanoate
CID 83048891
diethyl 2-(3-chloropentyl)propanedioate
CID 139991355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylperoxycarbonylpentanoate?
The IUPAC name of ethyl 2-ethylperoxycarbonylpentanoate (CID 174863667) is ethyl 2-ethylperoxycarbonylpentanoate.
What is the SMILES notation for ethyl 2-ethylperoxycarbonylpentanoate?
The canonical SMILES for ethyl 2-ethylperoxycarbonylpentanoate is CCCC(C(=O)OCC)C(=O)OOCC.
What is the InChIKey of ethyl 2-ethylperoxycarbonylpentanoate?
The InChIKey is FGVZHHKFWWGEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-7-8(9(11)13-5-2)10(12)15-14-6-3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-ethylperoxycarbonylpentanoate?
ethyl 2-ethylperoxycarbonylpentanoate has a molecular weight of 218.25 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylperoxycarbonylpentanoate is sourced from PubChem (CID 174863667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).