1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane

C29H58 — CID 159304571

IUPAC1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1.CC(C)C1CCCCCC1.CCC1CCC(C(C)C)CC1
InChIInChI=1S/C11H22.C10H20.C8H16/c1-4-10-5-7-11(8-6-10)9(2)3;1-9(2)10-7-5-3-4-6-8-10;1-7(2)8-5-3-4-6-8/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyLBTIKURXPGZKCL-UHFFFAOYSA-N
MW406.78 g/mol
LogP10.30
Rot. Bonds4

About 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane

1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane (PubChem CID 159304571) has the molecular formula C29H58 and a molecular weight of 406.78 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
PubChem CID159304571
Molecular FormulaC29H58
Molecular Weight406.78 g/mol
Exact Mass406.45
IUPAC Name1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1.CC(C)C1CCCCCC1.CCC1CCC(C(C)C)CC1
InChIInChI=1S/C11H22.C10H20.C8H16/c1-4-10-5-7-11(8-6-10)9(2)3;1-9(2)10-7-5-3-4-6-8-10;1-7(2)8-5-3-4-6-8/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyLBTIKURXPGZKCL-UHFFFAOYSA-N
XLogP10.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.78
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane 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

cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
propane;propan-2-ylcyclopentane
CID 91615250
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
methane;propan-2-ylcyclotetradecane
CID 159882779
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
ethane;methane;propan-2-ylcyclohexane
CID 169430642
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
1-(1-bromo-2-methylpropyl)-4-ethylcycloheptane
CID 79298349
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane?
The IUPAC name of 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane (CID 159304571) is 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane.
What is the SMILES notation for 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane?
The canonical SMILES for 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane is CC(C)C1CCCC1.CC(C)C1CCCCCC1.CCC1CCC(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane?
The InChIKey is LBTIKURXPGZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C10H20.C8H16/c1-4-10-5-7-11(8-6-10)9(2)3;1-9(2)10-7-5-3-4-6-8-10;1-7(2)8-5-3-4-6-8/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane?
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane has a molecular weight of 406.78 g/mol, XLogP of 10.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane is sourced from PubChem (CID 159304571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).