4-ethyl-2,4-dimethylhexane

C10H22 — CID 521420

IUPAC4-ethyl-2,4-dimethylhexane
SMILESCCC(C)(CC)CC(C)C
InChIInChI=1S/C10H22/c1-6-10(5,7-2)8-9(3)4/h9H,6-8H2,1-5H3
InChIKeySIKFMUYSQCEQOO-UHFFFAOYSA-N
MW142.29 g/mol
LogP3.86
Rot. Bonds4

About 4-ethyl-2,4-dimethylhexane

4-ethyl-2,4-dimethylhexane (PubChem CID 521420) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethylhexane.

Molecular Properties

Compound Name4-ethyl-2,4-dimethylhexane
PubChem CID521420
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name4-ethyl-2,4-dimethylhexane
SMILESCCC(C)(CC)CC(C)C
InChIInChI=1S/C10H22/c1-6-10(5,7-2)8-9(3)4/h9H,6-8H2,1-5H3
InChIKeySIKFMUYSQCEQOO-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4-dimethylhexane?
The IUPAC name of 4-ethyl-2,4-dimethylhexane (CID 521420) is 4-ethyl-2,4-dimethylhexane.
What is the SMILES notation for 4-ethyl-2,4-dimethylhexane?
The canonical SMILES for 4-ethyl-2,4-dimethylhexane is CCC(C)(CC)CC(C)C.
What is the InChIKey of 4-ethyl-2,4-dimethylhexane?
The InChIKey is SIKFMUYSQCEQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-6-10(5,7-2)8-9(3)4/h9H,6-8H2,1-5H3.
What are the key properties of 4-ethyl-2,4-dimethylhexane?
4-ethyl-2,4-dimethylhexane has a molecular weight of 142.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethylhexane is sourced from PubChem (CID 521420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).