bis(2,2-dimethylpropylperoxy) carbonate

C11H22O7 — CID 139913345

IUPACbis(2,2-dimethylpropylperoxy) carbonate
SMILESCC(C)(C)COOOC(=O)OOOCC(C)(C)C
InChIInChI=1S/C11H22O7/c1-10(2,3)7-13-17-15-9(12)16-18-14-8-11(4,5)6/h7-8H2,1-6H3
InChIKeyKQTHCXXMGXHOOP-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.96
Rot. Bonds6

About bis(2,2-dimethylpropylperoxy) carbonate

bis(2,2-dimethylpropylperoxy) carbonate (PubChem CID 139913345) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is bis(2,2-dimethylpropylperoxy) carbonate.

Molecular Properties

Compound Namebis(2,2-dimethylpropylperoxy) carbonate
PubChem CID139913345
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Namebis(2,2-dimethylpropylperoxy) carbonate
SMILESCC(C)(C)COOOC(=O)OOOCC(C)(C)C
InChIInChI=1S/C11H22O7/c1-10(2,3)7-13-17-15-9(12)16-18-14-8-11(4,5)6/h7-8H2,1-6H3
InChIKeyKQTHCXXMGXHOOP-UHFFFAOYSA-N
XLogP2.96
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropylperoxy) carbonate?
The IUPAC name of bis(2,2-dimethylpropylperoxy) carbonate (CID 139913345) is bis(2,2-dimethylpropylperoxy) carbonate.
What is the SMILES notation for bis(2,2-dimethylpropylperoxy) carbonate?
The canonical SMILES for bis(2,2-dimethylpropylperoxy) carbonate is CC(C)(C)COOOC(=O)OOOCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropylperoxy) carbonate?
The InChIKey is KQTHCXXMGXHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7/c1-10(2,3)7-13-17-15-9(12)16-18-14-8-11(4,5)6/h7-8H2,1-6H3.
What are the key properties of bis(2,2-dimethylpropylperoxy) carbonate?
bis(2,2-dimethylpropylperoxy) carbonate has a molecular weight of 266.29 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropylperoxy) carbonate is sourced from PubChem (CID 139913345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).