2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate

C14H26O6 — CID 141485215

IUPAC2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
SMILESCCC(C)(C)OC(=O)COOCC(=O)OC(C)(C)CC
InChIInChI=1S/C14H26O6/c1-7-13(3,4)19-11(15)9-17-18-10-12(16)20-14(5,6)8-2/h7-10H2,1-6H3
InChIKeyMSOOGADPRAPBCC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.40
Rot. Bonds9

About 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate

2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate (PubChem CID 141485215) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
PubChem CID141485215
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
SMILESCCC(C)(C)OC(=O)COOCC(=O)OC(C)(C)CC
InChIInChI=1S/C14H26O6/c1-7-13(3,4)19-11(15)9-17-18-10-12(16)20-14(5,6)8-2/h7-10H2,1-6H3
InChIKeyMSOOGADPRAPBCC-UHFFFAOYSA-N
XLogP2.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287
2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
CID 166662738
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
bis(2-methylbutan-2-yl) 2-(2-methylbutan-2-ylperoxymethyl)butanedioate
CID 58846952
2-methylbutan-2-yl carbonochloridate
CID 15051328
2-methylbutan-2-yl 4-(2-methylbutan-2-ylperoxy)-4-oxobutanoate
CID 139936835
2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate
CID 70870522
3-[4-(2-methylbutan-2-yloxy)-4-oxobutyl]peroxypropanoic acid
CID 58954431
2-methylbutan-2-yl 3-acetamidopropanoate
CID 134215822
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
CID 67185287
2-methylbutan-2-yl 3-(2-methylbutan-2-ylperoxy)but-3-enoate
CID 23405314

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate?
The IUPAC name of 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate (CID 141485215) is 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate.
What is the SMILES notation for 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate?
The canonical SMILES for 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate is CCC(C)(C)OC(=O)COOCC(=O)OC(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate?
The InChIKey is MSOOGADPRAPBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-7-13(3,4)19-11(15)9-17-18-10-12(16)20-14(5,6)8-2/h7-10H2,1-6H3.
What are the key properties of 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate?
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate has a molecular weight of 290.36 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate is sourced from PubChem (CID 141485215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).