1-butyl-4-ethylcyclohexane;methane

C13H28 — CID 145295190

IUPAC1-butyl-4-ethylcyclohexane;methane
SMILESC.CCCCC1CCC(CC)CC1
InChIInChI=1S/C12H24.CH4/c1-3-5-6-12-9-7-11(4-2)8-10-12;/h11-12H,3-10H2,1-2H3;1H4
InChIKeyAPZVZMULEGCUGF-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds4

About 1-butyl-4-ethylcyclohexane;methane

1-butyl-4-ethylcyclohexane;methane (PubChem CID 145295190) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 1-butyl-4-ethylcyclohexane;methane.

Molecular Properties

Compound Name1-butyl-4-ethylcyclohexane;methane
PubChem CID145295190
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name1-butyl-4-ethylcyclohexane;methane
SMILESC.CCCCC1CCC(CC)CC1
InChIInChI=1S/C12H24.CH4/c1-3-5-6-12-9-7-11(4-2)8-10-12;/h11-12H,3-10H2,1-2H3;1H4
InChIKeyAPZVZMULEGCUGF-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-4-ethylcyclohexane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
hexane;pentylcyclopropane
CID 159592467
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
CID 18633775
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-ethyl-4-[2-(4-heptylcyclohexyl)ethynyl]cyclohexane
CID 19985073
1-ethyl-4-methylcyclohexane;pentane
CID 159787850

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethylcyclohexane;methane?
The IUPAC name of 1-butyl-4-ethylcyclohexane;methane (CID 145295190) is 1-butyl-4-ethylcyclohexane;methane.
What is the SMILES notation for 1-butyl-4-ethylcyclohexane;methane?
The canonical SMILES for 1-butyl-4-ethylcyclohexane;methane is C.CCCCC1CCC(CC)CC1.
What is the InChIKey of 1-butyl-4-ethylcyclohexane;methane?
The InChIKey is APZVZMULEGCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.CH4/c1-3-5-6-12-9-7-11(4-2)8-10-12;/h11-12H,3-10H2,1-2H3;1H4.
What are the key properties of 1-butyl-4-ethylcyclohexane;methane?
1-butyl-4-ethylcyclohexane;methane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethylcyclohexane;methane is sourced from PubChem (CID 145295190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).