ethyl 2-(tert-butylperoxymethyl)prop-2-enoate

C10H18O4 — CID 10856552

IUPACethyl 2-(tert-butylperoxymethyl)prop-2-enoate
SMILESC=C(COOC(C)(C)C)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-6-12-9(11)8(2)7-13-14-10(3,4)5/h2,6-7H2,1,3-5H3
InChIKeySWGSQYVGWUFKFA-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.85
Rot. Bonds5

About ethyl 2-(tert-butylperoxymethyl)prop-2-enoate

ethyl 2-(tert-butylperoxymethyl)prop-2-enoate (PubChem CID 10856552) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-(tert-butylperoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(tert-butylperoxymethyl)prop-2-enoate
PubChem CID10856552
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-(tert-butylperoxymethyl)prop-2-enoate
SMILESC=C(COOC(C)(C)C)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-6-12-9(11)8(2)7-13-14-10(3,4)5/h2,6-7H2,1,3-5H3
InChIKeySWGSQYVGWUFKFA-UHFFFAOYSA-N
XLogP1.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylperoxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(tert-butylperoxymethyl)prop-2-enoate (CID 10856552) is ethyl 2-(tert-butylperoxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(tert-butylperoxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(tert-butylperoxymethyl)prop-2-enoate is C=C(COOC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(tert-butylperoxymethyl)prop-2-enoate?
The InChIKey is SWGSQYVGWUFKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-12-9(11)8(2)7-13-14-10(3,4)5/h2,6-7H2,1,3-5H3.
What are the key properties of ethyl 2-(tert-butylperoxymethyl)prop-2-enoate?
ethyl 2-(tert-butylperoxymethyl)prop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tert-butylperoxymethyl)prop-2-enoate is sourced from PubChem (CID 10856552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).