2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane

C18H38O — CID 57190097

IUPAC2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane
SMILESCCC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CC
InChIInChI=1S/C18H38O/c1-11-15(3,4)13-17(7,8)19-18(9,10)14-16(5,6)12-2/h11-14H2,1-10H3
InChIKeyHWFBHTNOBRMYBG-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.21
Rot. Bonds8

About 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane

2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane (PubChem CID 57190097) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane
PubChem CID57190097
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane
SMILESCCC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CC
InChIInChI=1S/C18H38O/c1-11-15(3,4)13-17(7,8)19-18(9,10)14-16(5,6)12-2/h11-14H2,1-10H3
InChIKeyHWFBHTNOBRMYBG-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane?
The IUPAC name of 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane (CID 57190097) is 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane.
What is the SMILES notation for 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane?
The canonical SMILES for 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane is CCC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CC.
What is the InChIKey of 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane?
The InChIKey is HWFBHTNOBRMYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-11-15(3,4)13-17(7,8)19-18(9,10)14-16(5,6)12-2/h11-14H2,1-10H3.
What are the key properties of 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane?
2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane has a molecular weight of 270.50 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-(2,4,4-trimethylhexan-2-yloxy)hexane is sourced from PubChem (CID 57190097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).