2,4-diethyl-1-methylcyclohexane

C11H22 — CID 549947

IUPAC2,4-diethyl-1-methylcyclohexane
SMILESCCC1CCC(C)C(CC)C1
InChIInChI=1S/C11H22/c1-4-10-7-6-9(3)11(5-2)8-10/h9-11H,4-8H2,1-3H3
InChIKeyIOHRVVBGMVEXIN-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds2

About 2,4-diethyl-1-methylcyclohexane

2,4-diethyl-1-methylcyclohexane (PubChem CID 549947) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2,4-diethyl-1-methylcyclohexane.

Molecular Properties

Compound Name2,4-diethyl-1-methylcyclohexane
PubChem CID549947
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2,4-diethyl-1-methylcyclohexane
SMILESCCC1CCC(C)C(CC)C1
InChIInChI=1S/C11H22/c1-4-10-7-6-9(3)11(5-2)8-10/h9-11H,4-8H2,1-3H3
InChIKeyIOHRVVBGMVEXIN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1-methylcyclohexane?
The IUPAC name of 2,4-diethyl-1-methylcyclohexane (CID 549947) is 2,4-diethyl-1-methylcyclohexane.
What is the SMILES notation for 2,4-diethyl-1-methylcyclohexane?
The canonical SMILES for 2,4-diethyl-1-methylcyclohexane is CCC1CCC(C)C(CC)C1.
What is the InChIKey of 2,4-diethyl-1-methylcyclohexane?
The InChIKey is IOHRVVBGMVEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-10-7-6-9(3)11(5-2)8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,4-diethyl-1-methylcyclohexane?
2,4-diethyl-1-methylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1-methylcyclohexane is sourced from PubChem (CID 549947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).