3-ethyl-2,2,4,5-tetramethylhexane

C12H26 — CID 53428653

IUPAC3-ethyl-2,2,4,5-tetramethylhexane
SMILESCCC(C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C12H26/c1-8-11(12(5,6)7)10(4)9(2)3/h9-11H,8H2,1-7H3
InChIKeyKZHIDSBQFJFWDV-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.35
Rot. Bonds3

About 3-ethyl-2,2,4,5-tetramethylhexane

3-ethyl-2,2,4,5-tetramethylhexane (PubChem CID 53428653) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 3-ethyl-2,2,4,5-tetramethylhexane.

Molecular Properties

Compound Name3-ethyl-2,2,4,5-tetramethylhexane
PubChem CID53428653
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name3-ethyl-2,2,4,5-tetramethylhexane
SMILESCCC(C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C12H26/c1-8-11(12(5,6)7)10(4)9(2)3/h9-11H,8H2,1-7H3
InChIKeyKZHIDSBQFJFWDV-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,4,5-tetramethylhexane?
The IUPAC name of 3-ethyl-2,2,4,5-tetramethylhexane (CID 53428653) is 3-ethyl-2,2,4,5-tetramethylhexane.
What is the SMILES notation for 3-ethyl-2,2,4,5-tetramethylhexane?
The canonical SMILES for 3-ethyl-2,2,4,5-tetramethylhexane is CCC(C(C)C(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,4,5-tetramethylhexane?
The InChIKey is KZHIDSBQFJFWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-8-11(12(5,6)7)10(4)9(2)3/h9-11H,8H2,1-7H3.
What are the key properties of 3-ethyl-2,2,4,5-tetramethylhexane?
3-ethyl-2,2,4,5-tetramethylhexane has a molecular weight of 170.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,4,5-tetramethylhexane is sourced from PubChem (CID 53428653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).