1-ethyl-2-(1-methylcyclohexyl)cyclohexane

C15H28 — CID 54229002

IUPAC1-ethyl-2-(1-methylcyclohexyl)cyclohexane
SMILESCCC1CCCCC1C1(C)CCCCC1
InChIInChI=1S/C15H28/c1-3-13-9-5-6-10-14(13)15(2)11-7-4-8-12-15/h13-14H,3-12H2,1-2H3
InChIKeyYAPIYNKDLJROIC-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds2

About 1-ethyl-2-(1-methylcyclohexyl)cyclohexane

1-ethyl-2-(1-methylcyclohexyl)cyclohexane (PubChem CID 54229002) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-ethyl-2-(1-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-2-(1-methylcyclohexyl)cyclohexane
PubChem CID54229002
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-ethyl-2-(1-methylcyclohexyl)cyclohexane
SMILESCCC1CCCCC1C1(C)CCCCC1
InChIInChI=1S/C15H28/c1-3-13-9-5-6-10-14(13)15(2)11-7-4-8-12-15/h13-14H,3-12H2,1-2H3
InChIKeyYAPIYNKDLJROIC-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-ethyl-2-(1-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethyl-2-(1-methylcyclohexyl)cyclohexane (CID 54229002) is 1-ethyl-2-(1-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethyl-2-(1-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethyl-2-(1-methylcyclohexyl)cyclohexane is CCC1CCCCC1C1(C)CCCCC1.
What is the InChIKey of 1-ethyl-2-(1-methylcyclohexyl)cyclohexane?
The InChIKey is YAPIYNKDLJROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-13-9-5-6-10-14(13)15(2)11-7-4-8-12-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-2-(1-methylcyclohexyl)cyclohexane?
1-ethyl-2-(1-methylcyclohexyl)cyclohexane 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-ethyl-2-(1-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 54229002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).