9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane

C13H22 — CID 123500239

IUPAC9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane
SMILESCCC1CCC2C(C)C3CC3(C)C12
InChIInChI=1S/C13H22/c1-4-9-5-6-10-8(2)11-7-13(11,3)12(9)10/h8-12H,4-7H2,1-3H3
InChIKeyNPSSRNHQCYOMCJ-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.71
Rot. Bonds1

About 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane

9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane (PubChem CID 123500239) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane.

Molecular Properties

Compound Name9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane
PubChem CID123500239
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane
SMILESCCC1CCC2C(C)C3CC3(C)C12
InChIInChI=1S/C13H22/c1-4-9-5-6-10-8(2)11-7-13(11,3)12(9)10/h8-12H,4-7H2,1-3H3
InChIKeyNPSSRNHQCYOMCJ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane
CID 163542026
1,3-dimethyltricyclo[3.1.0.02,4]hexane
CID 123800109
1,3-diethyl-2-methylcyclopentane
CID 123589151
2,4-diethyl-2-methylbicyclo[3.2.0]heptane
CID 163795168
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
(1S,2R,5S)-2-ethyl-8,8-dimethylbicyclo[3.2.1]octane
CID 58715430
1-ethyl-2-(2-ethylcyclopropyl)cyclobutane
CID 123502965
butane;1-ethyl-2,3-dimethylcyclopentane
CID 144921835
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane?
The IUPAC name of 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane (CID 123500239) is 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane.
What is the SMILES notation for 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane?
The canonical SMILES for 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane is CCC1CCC2C(C)C3CC3(C)C12.
What is the InChIKey of 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane?
The InChIKey is NPSSRNHQCYOMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-9-5-6-10-8(2)11-7-13(11,3)12(9)10/h8-12H,4-7H2,1-3H3.
What are the key properties of 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane?
9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane has a molecular weight of 178.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane is sourced from PubChem (CID 123500239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).