4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane

C16H34O — CID 123648413

IUPAC4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane
SMILESCCCCC(CC)(CCC)COC(C)(C)CC
InChIInChI=1S/C16H34O/c1-7-11-13-16(10-4,12-8-2)14-17-15(5,6)9-3/h7-14H2,1-6H3
InChIKeyWIVWJRJNFRXCAG-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.58
Rot. Bonds10

About 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane

4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane (PubChem CID 123648413) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane.

Molecular Properties

Compound Name4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane
PubChem CID123648413
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane
SMILESCCCCC(CC)(CCC)COC(C)(C)CC
InChIInChI=1S/C16H34O/c1-7-11-13-16(10-4,12-8-2)14-17-15(5,6)9-3/h7-14H2,1-6H3
InChIKeyWIVWJRJNFRXCAG-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 177031380
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CID 159037908
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
N-tert-butyl-2-ethyl-2-propylhexan-1-amine
CID 63507407
(3-ethyl-3-propylheptoxy)silane
CID 123804665
7-butyl-7-ethyltetradecane
CID 174665936
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
CID 158847825
3-(chloromethyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 112592393
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-diethylhexylphosphane
CID 150041193

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane?
The IUPAC name of 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane (CID 123648413) is 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane.
What is the SMILES notation for 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane?
The canonical SMILES for 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane is CCCCC(CC)(CCC)COC(C)(C)CC.
What is the InChIKey of 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane?
The InChIKey is WIVWJRJNFRXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-7-11-13-16(10-4,12-8-2)14-17-15(5,6)9-3/h7-14H2,1-6H3.
What are the key properties of 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane?
4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane has a molecular weight of 242.45 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(2-methylbutan-2-yloxymethyl)octane is sourced from PubChem (CID 123648413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).