4-ethyl-9-methyltricyclo[6.2.0.02,5]decane

C13H22 — CID 123785959

IUPAC4-ethyl-9-methyltricyclo[6.2.0.02,5]decane
SMILESCCC1CC2C1CCC1C(C)CC12
InChIInChI=1S/C13H22/c1-3-9-7-13-11(9)5-4-10-8(2)6-12(10)13/h8-13H,3-7H2,1-2H3
InChIKeyXCBQMQWLVRUBEB-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.71
Rot. Bonds1

About 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane

4-ethyl-9-methyltricyclo[6.2.0.02,5]decane (PubChem CID 123785959) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane.

Molecular Properties

Compound Name4-ethyl-9-methyltricyclo[6.2.0.02,5]decane
PubChem CID123785959
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4-ethyl-9-methyltricyclo[6.2.0.02,5]decane
SMILESCCC1CC2C1CCC1C(C)CC12
InChIInChI=1S/C13H22/c1-3-9-7-13-11(9)5-4-10-8(2)6-12(10)13/h8-13H,3-7H2,1-2H3
InChIKeyXCBQMQWLVRUBEB-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

Analyze 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane 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-2-(2-ethylcyclopropyl)cyclobutane
CID 123502965
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane
CID 123854956
1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59893526
1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162292687
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
10-ethyl-6-methyltetracyclo[5.4.0.02,5.08,11]undecane
CID 143368983
1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153303896
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane?
The IUPAC name of 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane (CID 123785959) is 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane.
What is the SMILES notation for 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane?
The canonical SMILES for 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane is CCC1CC2C1CCC1C(C)CC12.
What is the InChIKey of 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane?
The InChIKey is XCBQMQWLVRUBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-9-7-13-11(9)5-4-10-8(2)6-12(10)13/h8-13H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane?
4-ethyl-9-methyltricyclo[6.2.0.02,5]decane 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 4-ethyl-9-methyltricyclo[6.2.0.02,5]decane is sourced from PubChem (CID 123785959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).