1-tert-butyl-4-ethylcyclohexane

C12H24 — CID 15806499

IUPAC1-tert-butyl-4-ethylcyclohexane
SMILESCCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24/c1-5-10-6-8-11(9-7-10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyJMUSIRQLHNHLKA-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds1

About 1-tert-butyl-4-ethylcyclohexane

1-tert-butyl-4-ethylcyclohexane (PubChem CID 15806499) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-ethylcyclohexane
PubChem CID15806499
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-tert-butyl-4-ethylcyclohexane
SMILESCCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24/c1-5-10-6-8-11(9-7-10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyJMUSIRQLHNHLKA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylcyclohexane?
The IUPAC name of 1-tert-butyl-4-ethylcyclohexane (CID 15806499) is 1-tert-butyl-4-ethylcyclohexane.
What is the SMILES notation for 1-tert-butyl-4-ethylcyclohexane?
The canonical SMILES for 1-tert-butyl-4-ethylcyclohexane is CCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethylcyclohexane?
The InChIKey is JMUSIRQLHNHLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-10-6-8-11(9-7-10)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethylcyclohexane?
1-tert-butyl-4-ethylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylcyclohexane is sourced from PubChem (CID 15806499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).