tert-butylperoxy octyl carbonate

C13H26O5 — CID 162720099

IUPACtert-butylperoxy octyl carbonate
SMILESCCCCCCCCOC(=O)OOOC(C)(C)C
InChIInChI=1S/C13H26O5/c1-5-6-7-8-9-10-11-15-12(14)16-18-17-13(2,3)4/h5-11H2,1-4H3
InChIKeyUYCWOGUAAKJBRV-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.16
Rot. Bonds9

About tert-butylperoxy octyl carbonate

tert-butylperoxy octyl carbonate (PubChem CID 162720099) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butylperoxy octyl carbonate.

Molecular Properties

Compound Nametert-butylperoxy octyl carbonate
PubChem CID162720099
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Nametert-butylperoxy octyl carbonate
SMILESCCCCCCCCOC(=O)OOOC(C)(C)C
InChIInChI=1S/C13H26O5/c1-5-6-7-8-9-10-11-15-12(14)16-18-17-13(2,3)4/h5-11H2,1-4H3
InChIKeyUYCWOGUAAKJBRV-UHFFFAOYSA-N
XLogP4.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-butylperoxy propyl carbonate
CID 22326011
tert-butyl heptyl carbonate
CID 14883661
tert-butyl dodecyl carbonate
CID 13437280
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
carboxyoxy dodecyl carbonate
CID 89262401
hexoxycarbonyl hexyl carbonate
CID 18974231
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576

Frequently Asked Questions

What is the IUPAC name of tert-butylperoxy octyl carbonate?
The IUPAC name of tert-butylperoxy octyl carbonate (CID 162720099) is tert-butylperoxy octyl carbonate.
What is the SMILES notation for tert-butylperoxy octyl carbonate?
The canonical SMILES for tert-butylperoxy octyl carbonate is CCCCCCCCOC(=O)OOOC(C)(C)C.
What is the InChIKey of tert-butylperoxy octyl carbonate?
The InChIKey is UYCWOGUAAKJBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-5-6-7-8-9-10-11-15-12(14)16-18-17-13(2,3)4/h5-11H2,1-4H3.
What are the key properties of tert-butylperoxy octyl carbonate?
tert-butylperoxy octyl carbonate has a molecular weight of 262.35 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxy octyl carbonate is sourced from PubChem (CID 162720099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).