3,6,6-triethyl-3,4,4-trimethyloctane

C17H36 — CID 123763996

IUPAC3,6,6-triethyl-3,4,4-trimethyloctane
SMILESCCC(CC)(CC)CC(C)(C)C(C)(CC)CC
InChIInChI=1S/C17H36/c1-9-16(8,10-2)15(6,7)14-17(11-3,12-4)13-5/h9-14H2,1-8H3
InChIKeyGTOGOBOIJVPXGL-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds8

About 3,6,6-triethyl-3,4,4-trimethyloctane

3,6,6-triethyl-3,4,4-trimethyloctane (PubChem CID 123763996) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,6,6-triethyl-3,4,4-trimethyloctane.

Molecular Properties

Compound Name3,6,6-triethyl-3,4,4-trimethyloctane
PubChem CID123763996
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,6,6-triethyl-3,4,4-trimethyloctane
SMILESCCC(CC)(CC)CC(C)(C)C(C)(CC)CC
InChIInChI=1S/C17H36/c1-9-16(8,10-2)15(6,7)14-17(11-3,12-4)13-5/h9-14H2,1-8H3
InChIKeyGTOGOBOIJVPXGL-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-2,2,4,4,5-pentamethylheptane
CID 57492867
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
3-ethyl-2,3-dimethylpentan-2-ol
CID 53428948
lithium;2,2-dimethylbutane;hydride
CID 174323452
5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine
CID 167184808
3,4-diethyl-4-methylhexan-3-amine
CID 89098047
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
butane;ethane;3-ethyl-2,2,3-trimethylpentane
CID 155745671
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235

Frequently Asked Questions

What is the IUPAC name of 3,6,6-triethyl-3,4,4-trimethyloctane?
The IUPAC name of 3,6,6-triethyl-3,4,4-trimethyloctane (CID 123763996) is 3,6,6-triethyl-3,4,4-trimethyloctane.
What is the SMILES notation for 3,6,6-triethyl-3,4,4-trimethyloctane?
The canonical SMILES for 3,6,6-triethyl-3,4,4-trimethyloctane is CCC(CC)(CC)CC(C)(C)C(C)(CC)CC.
What is the InChIKey of 3,6,6-triethyl-3,4,4-trimethyloctane?
The InChIKey is GTOGOBOIJVPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-9-16(8,10-2)15(6,7)14-17(11-3,12-4)13-5/h9-14H2,1-8H3.
What are the key properties of 3,6,6-triethyl-3,4,4-trimethyloctane?
3,6,6-triethyl-3,4,4-trimethyloctane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-triethyl-3,4,4-trimethyloctane is sourced from PubChem (CID 123763996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).