(3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate

C14H26O10 — CID 54028794

IUPAC(3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate
SMILESCOC(C)(C)CCOC(=O)OOOOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C14H26O10/c1-13(2,17-5)7-9-19-11(15)21-23-24-22-12(16)20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyLECIENHMQJKJMI-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.70
Rot. Bonds11

About (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate

(3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate (PubChem CID 54028794) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate
PubChem CID54028794
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name(3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate
SMILESCOC(C)(C)CCOC(=O)OOOOC(=O)OCCC(C)(C)OC
InChIInChI=1S/C14H26O10/c1-13(2,17-5)7-9-19-11(15)21-23-24-22-12(16)20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyLECIENHMQJKJMI-UHFFFAOYSA-N
XLogP2.70
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate?
The IUPAC name of (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate (CID 54028794) is (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate.
What is the SMILES notation for (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate?
The canonical SMILES for (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate is COC(C)(C)CCOC(=O)OOOOC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate?
The InChIKey is LECIENHMQJKJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O10/c1-13(2,17-5)7-9-19-11(15)21-23-24-22-12(16)20-10-8-14(3,4)18-6/h7-10H2,1-6H3.
What are the key properties of (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate?
(3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate has a molecular weight of 354.35 g/mol, XLogP of 2.70, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutoxy)carbonyloxyperoxy (3-methoxy-3-methylbutyl) carbonate is sourced from PubChem (CID 54028794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).