2-ethyl-1,1,4,5,5-pentamethylcyclohexane

C13H26 — CID 123866855

IUPAC2-ethyl-1,1,4,5,5-pentamethylcyclohexane
SMILESCCC1CC(C)C(C)(C)CC1(C)C
InChIInChI=1S/C13H26/c1-7-11-8-10(2)12(3,4)9-13(11,5)6/h10-11H,7-9H2,1-6H3
InChIKeyAMFDXMWKMPIXEG-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds1

About 2-ethyl-1,1,4,5,5-pentamethylcyclohexane

2-ethyl-1,1,4,5,5-pentamethylcyclohexane (PubChem CID 123866855) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-ethyl-1,1,4,5,5-pentamethylcyclohexane.

Molecular Properties

Compound Name2-ethyl-1,1,4,5,5-pentamethylcyclohexane
PubChem CID123866855
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-ethyl-1,1,4,5,5-pentamethylcyclohexane
SMILESCCC1CC(C)C(C)(C)CC1(C)C
InChIInChI=1S/C13H26/c1-7-11-8-10(2)12(3,4)9-13(11,5)6/h10-11H,7-9H2,1-6H3
InChIKeyAMFDXMWKMPIXEG-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-1,1,4,5,5-pentamethylcyclohexane 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

2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
2,4-diethyl-1,1-dimethylcyclohexane
CID 143295937
4-ethyl-1,1,2-trimethylcyclohexane
CID 91194488
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
CID 163416827
2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane
CID 91011571
ethene;2-ethyl-1,1,5-trimethylcyclopentane
CID 142858344
2-ethyl-1-methyl-1-(2-methylcyclopropyl)cyclopropane
CID 123849923
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
CID 123709133
2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene
CID 134158825
(2S)-1,1,2-trimethylcyclopropane
CID 25022262

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1,4,5,5-pentamethylcyclohexane?
The IUPAC name of 2-ethyl-1,1,4,5,5-pentamethylcyclohexane (CID 123866855) is 2-ethyl-1,1,4,5,5-pentamethylcyclohexane.
What is the SMILES notation for 2-ethyl-1,1,4,5,5-pentamethylcyclohexane?
The canonical SMILES for 2-ethyl-1,1,4,5,5-pentamethylcyclohexane is CCC1CC(C)C(C)(C)CC1(C)C.
What is the InChIKey of 2-ethyl-1,1,4,5,5-pentamethylcyclohexane?
The InChIKey is AMFDXMWKMPIXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-11-8-10(2)12(3,4)9-13(11,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-ethyl-1,1,4,5,5-pentamethylcyclohexane?
2-ethyl-1,1,4,5,5-pentamethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1,4,5,5-pentamethylcyclohexane is sourced from PubChem (CID 123866855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).