3-ethyl-2,3,5-trimethylhexane

C11H24 — CID 53428900

IUPAC3-ethyl-2,3,5-trimethylhexane
SMILESCCC(C)(CC(C)C)C(C)C
InChIInChI=1S/C11H24/c1-7-11(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyVYVPEEFLIYVOTH-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.10
Rot. Bonds4

About 3-ethyl-2,3,5-trimethylhexane

3-ethyl-2,3,5-trimethylhexane (PubChem CID 53428900) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 3-ethyl-2,3,5-trimethylhexane.

Molecular Properties

Compound Name3-ethyl-2,3,5-trimethylhexane
PubChem CID53428900
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name3-ethyl-2,3,5-trimethylhexane
SMILESCCC(C)(CC(C)C)C(C)C
InChIInChI=1S/C11H24/c1-7-11(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyVYVPEEFLIYVOTH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3,5-trimethylhexane?
The IUPAC name of 3-ethyl-2,3,5-trimethylhexane (CID 53428900) is 3-ethyl-2,3,5-trimethylhexane.
What is the SMILES notation for 3-ethyl-2,3,5-trimethylhexane?
The canonical SMILES for 3-ethyl-2,3,5-trimethylhexane is CCC(C)(CC(C)C)C(C)C.
What is the InChIKey of 3-ethyl-2,3,5-trimethylhexane?
The InChIKey is VYVPEEFLIYVOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-7-11(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3.
What are the key properties of 3-ethyl-2,3,5-trimethylhexane?
3-ethyl-2,3,5-trimethylhexane has a molecular weight of 156.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3,5-trimethylhexane is sourced from PubChem (CID 53428900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).