4,4-diethyl-2-methylhexane

C11H24 — CID 53424690

IUPAC4,4-diethyl-2-methylhexane
SMILESCCC(CC)(CC)CC(C)C
InChIInChI=1S/C11H24/c1-6-11(7-2,8-3)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyUNPXTJSCIHOMKB-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds5

About 4,4-diethyl-2-methylhexane

4,4-diethyl-2-methylhexane (PubChem CID 53424690) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 4,4-diethyl-2-methylhexane.

Molecular Properties

Compound Name4,4-diethyl-2-methylhexane
PubChem CID53424690
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name4,4-diethyl-2-methylhexane
SMILESCCC(CC)(CC)CC(C)C
InChIInChI=1S/C11H24/c1-6-11(7-2,8-3)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyUNPXTJSCIHOMKB-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2-methylhexane?
The IUPAC name of 4,4-diethyl-2-methylhexane (CID 53424690) is 4,4-diethyl-2-methylhexane.
What is the SMILES notation for 4,4-diethyl-2-methylhexane?
The canonical SMILES for 4,4-diethyl-2-methylhexane is CCC(CC)(CC)CC(C)C.
What is the InChIKey of 4,4-diethyl-2-methylhexane?
The InChIKey is UNPXTJSCIHOMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-6-11(7-2,8-3)9-10(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 4,4-diethyl-2-methylhexane?
4,4-diethyl-2-methylhexane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-methylhexane is sourced from PubChem (CID 53424690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).