2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate

C28H56O6 — CID 174818904

IUPAC2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC
InChIInChI=1S/C20H38O4.C8H18O2/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-18H2,1-2H3;1-6H3
InChIKeyOSMYMKJOSRTHRN-UHFFFAOYSA-N
MW488.75 g/mol
LogP8.80
Rot. Bonds17

About 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate

2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate (PubChem CID 174818904) has the molecular formula C28H56O6 and a molecular weight of 488.75 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate
PubChem CID174818904
Molecular FormulaC28H56O6
Molecular Weight488.75 g/mol
Exact Mass488.41
IUPAC Name2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC
InChIInChI=1S/C20H38O4.C8H18O2/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-18H2,1-2H3;1-6H3
InChIKeyOSMYMKJOSRTHRN-UHFFFAOYSA-N
XLogP8.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.75
LogP ≤ 58.80
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

heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
2-tert-butylperoxy-2-methylpropane;dodecanoyl dodecaneperoxoate;propan-2-yl hydrogen carbonate
CID 175056228
ditert-butyl dodecanediperoxoate
CID 56843822
butanoyl octaneperoxoate
CID 155389347
2-tert-butylperoxy-2-methylpropane;decanoic acid
CID 159975474
propanoyl dodecaneperoxoate
CID 88596729
2-methylheptan-2-yl tridecaneperoxoate
CID 101276266
2-methylhexan-2-yl nonaneperoxoate
CID 101276253
tert-butyl octacosanoate
CID 174872722
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate (CID 174818904) is 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate is CC(C)(C)OOC(C)(C)C.CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate?
The InChIKey is OSMYMKJOSRTHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4.C8H18O2/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-18H2,1-2H3;1-6H3.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate?
2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate has a molecular weight of 488.75 g/mol, XLogP of 8.80, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate is sourced from PubChem (CID 174818904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).