5,5-diethyl-2,3,4,6-tetramethyloctane

C16H34 — CID 91577526

IUPAC5,5-diethyl-2,3,4,6-tetramethyloctane
SMILESCCC(C)C(CC)(CC)C(C)C(C)C(C)C
InChIInChI=1S/C16H34/c1-9-13(6)16(10-2,11-3)15(8)14(7)12(4)5/h12-15H,9-11H2,1-8H3
InChIKeyYUDSMFKBOTXSHU-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds7

About 5,5-diethyl-2,3,4,6-tetramethyloctane

5,5-diethyl-2,3,4,6-tetramethyloctane (PubChem CID 91577526) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5,5-diethyl-2,3,4,6-tetramethyloctane.

Molecular Properties

Compound Name5,5-diethyl-2,3,4,6-tetramethyloctane
PubChem CID91577526
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5,5-diethyl-2,3,4,6-tetramethyloctane
SMILESCCC(C)C(CC)(CC)C(C)C(C)C(C)C
InChIInChI=1S/C16H34/c1-9-13(6)16(10-2,11-3)15(8)14(7)12(4)5/h12-15H,9-11H2,1-8H3
InChIKeyYUDSMFKBOTXSHU-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,3,4,6-tetramethyloctane?
The IUPAC name of 5,5-diethyl-2,3,4,6-tetramethyloctane (CID 91577526) is 5,5-diethyl-2,3,4,6-tetramethyloctane.
What is the SMILES notation for 5,5-diethyl-2,3,4,6-tetramethyloctane?
The canonical SMILES for 5,5-diethyl-2,3,4,6-tetramethyloctane is CCC(C)C(CC)(CC)C(C)C(C)C(C)C.
What is the InChIKey of 5,5-diethyl-2,3,4,6-tetramethyloctane?
The InChIKey is YUDSMFKBOTXSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-9-13(6)16(10-2,11-3)15(8)14(7)12(4)5/h12-15H,9-11H2,1-8H3.
What are the key properties of 5,5-diethyl-2,3,4,6-tetramethyloctane?
5,5-diethyl-2,3,4,6-tetramethyloctane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,3,4,6-tetramethyloctane is sourced from PubChem (CID 91577526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).