2-methylpentan-2-ylperoxy 3-methylpentyl carbonate

C13H26O5 — CID 156755031

IUPAC2-methylpentan-2-ylperoxy 3-methylpentyl carbonate
SMILESCCCC(C)(C)OOOC(=O)OCCC(C)CC
InChIInChI=1S/C13H26O5/c1-6-9-13(4,5)17-18-16-12(14)15-10-8-11(3)7-2/h11H,6-10H2,1-5H3
InChIKeyJCQQWOKRFHKZPB-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.02
Rot. Bonds9

About 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate

2-methylpentan-2-ylperoxy 3-methylpentyl carbonate (PubChem CID 156755031) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate.

Molecular Properties

Compound Name2-methylpentan-2-ylperoxy 3-methylpentyl carbonate
PubChem CID156755031
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2-methylpentan-2-ylperoxy 3-methylpentyl carbonate
SMILESCCCC(C)(C)OOOC(=O)OCCC(C)CC
InChIInChI=1S/C13H26O5/c1-6-9-13(4,5)17-18-16-12(14)15-10-8-11(3)7-2/h11H,6-10H2,1-5H3
InChIKeyJCQQWOKRFHKZPB-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[2,5-dimethyl-5-(2-methylpropoxycarbonyloxyperoxy)hexan-2-yl]peroxy 2-methylpropyl carbonate
CID 21195091
tert-butylperoxy propyl carbonate
CID 22326011
2-methylbut-3-en-2-yl 3-methylpentyl carbonate
CID 139638871
butan-2-yl 2-methylheptan-2-ylperoxy carbonate
CID 139911710
bis(3-methylhexyl) carbonate
CID 19017004
2-methylpentan-2-yloxy 6-(2,4,4-trimethylpentan-2-ylperoxycarbonyloxy)hexyl carbonate
CID 139746819
[2,5-dimethyl-5-(2-methylbutanoylperoxy)hexan-2-yl] 2-methylbutaneperoxoate
CID 90779876
5-ethenylnonan-5-yl 3-methylpentyl carbonate
CID 139639117
2-methylheptan-2-yloxy 2-(2-methylheptan-2-ylperoxycarbonyloxy)ethyl carbonate
CID 21289257
3-methylpentyl 2-methylbutanoate
CID 3019319
2-ethylhexyl 2,4,4-trimethylpentan-2-ylperoxy carbonate
CID 139968242
tert-butylperoxy octyl carbonate
CID 162720099

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate?
The IUPAC name of 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate (CID 156755031) is 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate.
What is the SMILES notation for 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate?
The canonical SMILES for 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate is CCCC(C)(C)OOOC(=O)OCCC(C)CC.
What is the InChIKey of 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate?
The InChIKey is JCQQWOKRFHKZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-6-9-13(4,5)17-18-16-12(14)15-10-8-11(3)7-2/h11H,6-10H2,1-5H3.
What are the key properties of 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate?
2-methylpentan-2-ylperoxy 3-methylpentyl carbonate has a molecular weight of 262.35 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-ylperoxy 3-methylpentyl carbonate is sourced from PubChem (CID 156755031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).