2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane

C23H48O4 — CID 6451505

IUPAC2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane
SMILESCCC(C)(C)OOC(C)(C)C(C)C(C)(C)C(C)C(C)(C)OOC(C)(C)CC
InChIInChI=1S/C23H48O4/c1-15-19(5,6)24-26-22(11,12)17(3)21(9,10)18(4)23(13,14)27-25-20(7,8)16-2/h17-18H,15-16H2,1-14H3
InChIKeyWRABBTNNJGZXPG-UHFFFAOYSA-N
MW388.63 g/mol
LogP7.12
Rot. Bonds12

About 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane

2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane (PubChem CID 6451505) has the molecular formula C23H48O4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane.

Molecular Properties

Compound Name2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane
PubChem CID6451505
Molecular FormulaC23H48O4
Molecular Weight388.63 g/mol
Exact Mass388.36
IUPAC Name2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane
SMILESCCC(C)(C)OOC(C)(C)C(C)C(C)(C)C(C)C(C)(C)OOC(C)(C)CC
InChIInChI=1S/C23H48O4/c1-15-19(5,6)24-26-22(11,12)17(3)21(9,10)18(4)23(13,14)27-25-20(7,8)16-2/h17-18H,15-16H2,1-14H3
InChIKeyWRABBTNNJGZXPG-UHFFFAOYSA-N
XLogP7.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,4-dimethyl-3,3-bis(2-methylbutan-2-ylperoxy)pentane
CID 139945228
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008
2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane
CID 154640882
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945
2-methylbutan-2-yl 2-methylpropaneperoxoate
CID 54000649
1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 150893790
CID 134978808
CID 134978808
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
methanol;2-methyl-2-(2-methylbutan-2-yloxy)butane;propan-2-ol
CID 137497560
1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
1-(2-methylbutan-2-ylperoxy)butan-1-ol
CID 141073486
2-methylbutan-2-yloxy formate
CID 91293053

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane?
The IUPAC name of 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane (CID 6451505) is 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane.
What is the SMILES notation for 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane?
The canonical SMILES for 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane is CCC(C)(C)OOC(C)(C)C(C)C(C)(C)C(C)C(C)(C)OOC(C)(C)CC.
What is the InChIKey of 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane?
The InChIKey is WRABBTNNJGZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4/c1-15-19(5,6)24-26-22(11,12)17(3)21(9,10)18(4)23(13,14)27-25-20(7,8)16-2/h17-18H,15-16H2,1-14H3.
What are the key properties of 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane?
2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane has a molecular weight of 388.63 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane is sourced from PubChem (CID 6451505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).