tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate

C18H34O10 — CID 139692789

IUPACtert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate
SMILESCC(C)(C)OOC(=O)COCCOCCOCCOCC(=O)OOC(C)(C)C
InChIInChI=1S/C18H34O10/c1-17(2,3)27-25-15(19)13-23-11-9-21-7-8-22-10-12-24-14-16(20)26-28-18(4,5)6/h7-14H2,1-6H3
InChIKeyKTWUWWZRLHFZDJ-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.60
Rot. Bonds15

About tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate

tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate (PubChem CID 139692789) has the molecular formula C18H34O10 and a molecular weight of 410.46 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate
PubChem CID139692789
Molecular FormulaC18H34O10
Molecular Weight410.46 g/mol
Exact Mass410.22
IUPAC Nametert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate
SMILESCC(C)(C)OOC(=O)COCCOCCOCCOCC(=O)OOC(C)(C)C
InChIInChI=1S/C18H34O10/c1-17(2,3)27-25-15(19)13-23-11-9-21-7-8-22-10-12-24-14-16(20)26-28-18(4,5)6/h7-14H2,1-6H3
InChIKeyKTWUWWZRLHFZDJ-UHFFFAOYSA-N
XLogP1.60
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.60
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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Related Compounds

tert-butyl 3-(3-tert-butylperoxy-3-oxopropoxy)propaneperoxoate
CID 71357143
tert-butyl 2-methoxyethaneperoxoate
CID 22323612
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate
CID 175124878
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
ditert-butyl dodecanediperoxoate
CID 56843822
tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate?
The IUPAC name of tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate (CID 139692789) is tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate is CC(C)(C)OOC(=O)COCCOCCOCCOCC(=O)OOC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate?
The InChIKey is KTWUWWZRLHFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O10/c1-17(2,3)27-25-15(19)13-23-11-9-21-7-8-22-10-12-24-14-16(20)26-28-18(4,5)6/h7-14H2,1-6H3.
What are the key properties of tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate?
tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate has a molecular weight of 410.46 g/mol, XLogP of 1.60, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate is sourced from PubChem (CID 139692789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).