2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane

C22H46O2 — CID 90873357

IUPAC2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
SMILESCCC(C)(C)OCCC(C)(C)OCC(C)(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C22H46O2/c1-13-18(3,4)22(11,12)19(5,6)17-24-21(9,10)15-16-23-20(7,8)14-2/h13-17H2,1-12H3
InChIKeyHOAKOZQWTWQBPT-UHFFFAOYSA-N
MW342.61 g/mol
LogP6.87
Rot. Bonds11

About 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane

2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane (PubChem CID 90873357) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
PubChem CID90873357
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Name2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
SMILESCCC(C)(C)OCCC(C)(C)OCC(C)(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C22H46O2/c1-13-18(3,4)22(11,12)19(5,6)17-24-21(9,10)15-16-23-20(7,8)14-2/h13-17H2,1-12H3
InChIKeyHOAKOZQWTWQBPT-UHFFFAOYSA-N
XLogP6.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
The IUPAC name of 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane (CID 90873357) is 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane.
What is the SMILES notation for 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
The canonical SMILES for 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane is CCC(C)(C)OCCC(C)(C)OCC(C)(C)C(C)(C)C(C)(C)CC.
What is the InChIKey of 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
The InChIKey is HOAKOZQWTWQBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-13-18(3,4)22(11,12)19(5,6)17-24-21(9,10)15-16-23-20(7,8)14-2/h13-17H2,1-12H3.
What are the key properties of 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane has a molecular weight of 342.61 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane is sourced from PubChem (CID 90873357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).