1-cyclohexyl-1-ethyl-2-methylcyclohexane

C15H28 — CID 139620623

IUPAC1-cyclohexyl-1-ethyl-2-methylcyclohexane
SMILESCCC1(C2CCCCC2)CCCCC1C
InChIInChI=1S/C15H28/c1-3-15(12-8-7-9-13(15)2)14-10-5-4-6-11-14/h13-14H,3-12H2,1-2H3
InChIKeyFJJOBLWJJIRKLX-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds2

About 1-cyclohexyl-1-ethyl-2-methylcyclohexane

1-cyclohexyl-1-ethyl-2-methylcyclohexane (PubChem CID 139620623) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-2-methylcyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-2-methylcyclohexane
PubChem CID139620623
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-cyclohexyl-1-ethyl-2-methylcyclohexane
SMILESCCC1(C2CCCCC2)CCCCC1C
InChIInChI=1S/C15H28/c1-3-15(12-8-7-9-13(15)2)14-10-5-4-6-11-14/h13-14H,3-12H2,1-2H3
InChIKeyFJJOBLWJJIRKLX-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-2-methylcyclohexane?
The IUPAC name of 1-cyclohexyl-1-ethyl-2-methylcyclohexane (CID 139620623) is 1-cyclohexyl-1-ethyl-2-methylcyclohexane.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-2-methylcyclohexane?
The canonical SMILES for 1-cyclohexyl-1-ethyl-2-methylcyclohexane is CCC1(C2CCCCC2)CCCCC1C.
What is the InChIKey of 1-cyclohexyl-1-ethyl-2-methylcyclohexane?
The InChIKey is FJJOBLWJJIRKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-15(12-8-7-9-13(15)2)14-10-5-4-6-11-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethyl-2-methylcyclohexane?
1-cyclohexyl-1-ethyl-2-methylcyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-2-methylcyclohexane is sourced from PubChem (CID 139620623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).