2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane

C18H38O4 — CID 139945246

IUPAC2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane
SMILESCC(C)CC(C)(OOC(C)(C)C(C)C)OOC(C)(C)C(C)C
InChIInChI=1S/C18H38O4/c1-13(2)12-18(11,21-19-16(7,8)14(3)4)22-20-17(9,10)15(5)6/h13-15H,12H2,1-11H3
InChIKeyRNUQZCPVXSOUBY-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.51
Rot. Bonds10

About 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane

2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane (PubChem CID 139945246) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane.

Molecular Properties

Compound Name2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane
PubChem CID139945246
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane
SMILESCC(C)CC(C)(OOC(C)(C)C(C)C)OOC(C)(C)C(C)C
InChIInChI=1S/C18H38O4/c1-13(2)12-18(11,21-19-16(7,8)14(3)4)22-20-17(9,10)15(5)6/h13-15H,12H2,1-11H3
InChIKeyRNUQZCPVXSOUBY-UHFFFAOYSA-N
XLogP5.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[4-methyl-2-(2,3,3-trimethylbutan-2-ylperoxy)pentan-2-yl]peroxypentan-2-ol
CID 139970495
CID 174450797
CID 174450797
2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 90329075
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
4,4-bis(2,3-dimethylbutan-2-ylperoxy)nonane
CID 139956808
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
3,3-dimethoxy-2,5-dimethylhexane
CID 130439483
3-ethyl-2,3,5-trimethylhexane
CID 53428900
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
[2-(2-cyanoprop-2-enoyloxy)-4-methylpentan-2-yl] 2-cyanoprop-2-enoate
CID 141308506
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
O-(2,3-dimethylbutan-2-yl)hydroxylamine
CID 22013600

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane?
The IUPAC name of 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane (CID 139945246) is 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane.
What is the SMILES notation for 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane?
The canonical SMILES for 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane is CC(C)CC(C)(OOC(C)(C)C(C)C)OOC(C)(C)C(C)C.
What is the InChIKey of 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane?
The InChIKey is RNUQZCPVXSOUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-13(2)12-18(11,21-19-16(7,8)14(3)4)22-20-17(9,10)15(5)6/h13-15H,12H2,1-11H3.
What are the key properties of 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane?
2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane has a molecular weight of 318.50 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane is sourced from PubChem (CID 139945246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).