4-ethyl-2,6,6-trimethyloctane

C13H28 — CID 57491162

IUPAC4-ethyl-2,6,6-trimethyloctane
SMILESCCC(CC(C)C)CC(C)(C)CC
InChIInChI=1S/C13H28/c1-7-12(9-11(3)4)10-13(5,6)8-2/h11-12H,7-10H2,1-6H3
InChIKeyYIOZBUJYAIQYNV-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds6

About 4-ethyl-2,6,6-trimethyloctane

4-ethyl-2,6,6-trimethyloctane (PubChem CID 57491162) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 4-ethyl-2,6,6-trimethyloctane.

Molecular Properties

Compound Name4-ethyl-2,6,6-trimethyloctane
PubChem CID57491162
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name4-ethyl-2,6,6-trimethyloctane
SMILESCCC(CC(C)C)CC(C)(C)CC
InChIInChI=1S/C13H28/c1-7-12(9-11(3)4)10-13(5,6)8-2/h11-12H,7-10H2,1-6H3
InChIKeyYIOZBUJYAIQYNV-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
3,3,5,7-tetramethylnonane
CID 57490983
3,3,8-trimethyl-5-propyldecane
CID 142826348
(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene
CID 176963028
4-ethyl-2,7-dimethyloctane
CID 53423923
5-butyl-3,3-dimethylnonane
CID 123518865
3,6,6-trimethyloctan-4-amine
CID 89008923
4-ethyl-2-methylheptane;methane
CID 160575103
4-ethyl-2,2-dimethylhexan-1-amine
CID 82930453
3,3,5,7-tetramethyldecane
CID 57491663
2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane
CID 123832462
8,10-diethyl-2,4,5,5,6-pentamethyldodecane
CID 91300352

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6,6-trimethyloctane?
The IUPAC name of 4-ethyl-2,6,6-trimethyloctane (CID 57491162) is 4-ethyl-2,6,6-trimethyloctane.
What is the SMILES notation for 4-ethyl-2,6,6-trimethyloctane?
The canonical SMILES for 4-ethyl-2,6,6-trimethyloctane is CCC(CC(C)C)CC(C)(C)CC.
What is the InChIKey of 4-ethyl-2,6,6-trimethyloctane?
The InChIKey is YIOZBUJYAIQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-7-12(9-11(3)4)10-13(5,6)8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 4-ethyl-2,6,6-trimethyloctane?
4-ethyl-2,6,6-trimethyloctane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6,6-trimethyloctane is sourced from PubChem (CID 57491162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).