2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate

C10H20O4 — CID 89427724

IUPAC2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate
SMILESCC(C)C(=O)OOOC(C)(C)C(C)C
InChIInChI=1S/C10H20O4/c1-7(2)9(11)12-14-13-10(5,6)8(3)4/h7-8H,1-6H3
InChIKeyVLGMQGOBIYZNFF-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.48
Rot. Bonds5

About 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate

2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate (PubChem CID 89427724) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate
PubChem CID89427724
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate
SMILESCC(C)C(=O)OOOC(C)(C)C(C)C
InChIInChI=1S/C10H20O4/c1-7(2)9(11)12-14-13-10(5,6)8(3)4/h7-8H,1-6H3
InChIKeyVLGMQGOBIYZNFF-UHFFFAOYSA-N
XLogP2.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-methylpropaneperoxoate
CID 160633746
2-methylbutan-2-yl 2-methylpropaneperoxoate
CID 54000649
[3-methyl-2-(2-methylpropanoyloxy)butan-2-yl] 2-methylpropanoate
CID 19901577
2,3-dimethylbutan-2-yl carbamate
CID 20975410
bis[2,2-bis(2,3-dimethylbutan-2-ylperoxycarbonyloxymethyl)butyl] carbonate
CID 54536843
acetyl 2-methylpropaneperoxoate
CID 12601440
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
2,3,5-trimethylhexan-2-yl 2-methylpropanoate
CID 130218539
(1-hydroxy-2-methylpropan-2-yl) 2-methylpropanoate
CID 123371841
(1,1-dihydroxy-2-methylpropyl) 2-methylpropanoate
CID 88512914
bis(propan-2-yl 2-methylpropaneperoxoate);zirconium
CID 88861451
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 153381891

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate?
The IUPAC name of 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate (CID 89427724) is 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate.
What is the SMILES notation for 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate?
The canonical SMILES for 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate is CC(C)C(=O)OOOC(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate?
The InChIKey is VLGMQGOBIYZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-7(2)9(11)12-14-13-10(5,6)8(3)4/h7-8H,1-6H3.
What are the key properties of 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate?
2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate has a molecular weight of 204.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate is sourced from PubChem (CID 89427724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).