2,4-diethyl-2-methylbicyclo[3.2.0]heptane

C12H22 — CID 163795168

IUPAC2,4-diethyl-2-methylbicyclo[3.2.0]heptane
SMILESCCC1CC(C)(CC)C2CCC12
InChIInChI=1S/C12H22/c1-4-9-8-12(3,5-2)11-7-6-10(9)11/h9-11H,4-8H2,1-3H3
InChIKeyNADMDYSOAQXTOT-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds2

About 2,4-diethyl-2-methylbicyclo[3.2.0]heptane

2,4-diethyl-2-methylbicyclo[3.2.0]heptane (PubChem CID 163795168) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,4-diethyl-2-methylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,4-diethyl-2-methylbicyclo[3.2.0]heptane
PubChem CID163795168
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,4-diethyl-2-methylbicyclo[3.2.0]heptane
SMILESCCC1CC(C)(CC)C2CCC12
InChIInChI=1S/C12H22/c1-4-9-8-12(3,5-2)11-7-6-10(9)11/h9-11H,4-8H2,1-3H3
InChIKeyNADMDYSOAQXTOT-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-diethyl-2-methylbicyclo[3.2.0]heptane 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-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
[(5R,13R)-10,13-diethyl-5,13-dimethyl-5-tricyclo[9.3.0.04,7]tetradecanyl]methanamine
CID 134459588
1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene
CID 123458353
9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane
CID 123500239
1-ethyl-2-(2-ethyl-2-methylcyclopropyl)-3-methylcyclopropane
CID 90879674
1,3-diethyl-1,2-dimethylcyclohexane
CID 123496519
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(1S,2R,5S)-2-ethyl-8,8-dimethylbicyclo[3.2.1]octane
CID 58715430
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
2-(2-ethyl-2-methylcyclopropyl)-3-methylbicyclo[2.1.0]pentane
CID 123925093
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2-methylbicyclo[3.2.0]heptane?
The IUPAC name of 2,4-diethyl-2-methylbicyclo[3.2.0]heptane (CID 163795168) is 2,4-diethyl-2-methylbicyclo[3.2.0]heptane.
What is the SMILES notation for 2,4-diethyl-2-methylbicyclo[3.2.0]heptane?
The canonical SMILES for 2,4-diethyl-2-methylbicyclo[3.2.0]heptane is CCC1CC(C)(CC)C2CCC12.
What is the InChIKey of 2,4-diethyl-2-methylbicyclo[3.2.0]heptane?
The InChIKey is NADMDYSOAQXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-9-8-12(3,5-2)11-7-6-10(9)11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,4-diethyl-2-methylbicyclo[3.2.0]heptane?
2,4-diethyl-2-methylbicyclo[3.2.0]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2-methylbicyclo[3.2.0]heptane is sourced from PubChem (CID 163795168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).