2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane

C22H44 — CID 91011571

IUPAC2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane
SMILESCCC1CC(C)(C)CC(C)(CC)CCC(C)(CC)CC1(C)C
InChIInChI=1S/C22H44/c1-10-18-15-19(4,5)16-21(8,11-2)13-14-22(9,12-3)17-20(18,6)7/h18H,10-17H2,1-9H3
InChIKeyYKOBZMHGOSWVAY-UHFFFAOYSA-N
MW308.59 g/mol
LogP7.86
Rot. Bonds3

About 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane

2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane (PubChem CID 91011571) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane.

Molecular Properties

Compound Name2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane
PubChem CID91011571
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane
SMILESCCC1CC(C)(C)CC(C)(CC)CCC(C)(CC)CC1(C)C
InChIInChI=1S/C22H44/c1-10-18-15-19(4,5)16-21(8,11-2)13-14-22(9,12-3)17-20(18,6)7/h18H,10-17H2,1-9H3
InChIKeyYKOBZMHGOSWVAY-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane 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

1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
CID 163416827
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
1,3-diethyl-1-methylcyclobutane
CID 21053928
(3S)-3-ethyl-1,3-dimethylcyclopentan-1-amine;methane
CID 143623588
(3-ethyl-3,5,5-trimethylcyclohexyl) cyanate
CID 162758455
6-ethyl-2,2,4-trimethyl-8-azaspiro[4.5]decane
CID 106664485
2-ethyl-1,1,4,5,5-pentamethylcyclohexane
CID 123866855
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene
CID 134158825

Frequently Asked Questions

What is the IUPAC name of 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane?
The IUPAC name of 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane (CID 91011571) is 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane.
What is the SMILES notation for 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane?
The canonical SMILES for 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane is CCC1CC(C)(C)CC(C)(CC)CCC(C)(CC)CC1(C)C.
What is the InChIKey of 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane?
The InChIKey is YKOBZMHGOSWVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-10-18-15-19(4,5)16-21(8,11-2)13-14-22(9,12-3)17-20(18,6)7/h18H,10-17H2,1-9H3.
What are the key properties of 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane?
2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane has a molecular weight of 308.59 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane is sourced from PubChem (CID 91011571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).