6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C23H42 — CID 58552538

IUPAC6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC(CC)CC1C(C)CCC2CC(C3CCCCC3)CCC21
InChIInChI=1S/C23H42/c1-4-18(5-2)15-23-17(3)11-12-21-16-20(13-14-22(21)23)19-9-7-6-8-10-19/h17-23H,4-16H2,1-3H3
InChIKeyNKQVSYDKZXFGCK-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.47
Rot. Bonds5

About 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 58552538) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID58552538
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC(CC)CC1C(C)CCC2CC(C3CCCCC3)CCC21
InChIInChI=1S/C23H42/c1-4-18(5-2)15-23-17(3)11-12-21-16-20(13-14-22(21)23)19-9-7-6-8-10-19/h17-23H,4-16H2,1-3H3
InChIKeyNKQVSYDKZXFGCK-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene 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-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol
CID 67950573
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
1-[4-(4-cyclohexylcyclohexyl)-2-methylcyclohexyl]propan-1-one
CID 70870211
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
bicyclo[11.1.0]tetradecane
CID 90981498

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 58552538) is 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC(CC)CC1C(C)CCC2CC(C3CCCCC3)CCC21.
What is the InChIKey of 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is NKQVSYDKZXFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42/c1-4-18(5-2)15-23-17(3)11-12-21-16-20(13-14-22(21)23)19-9-7-6-8-10-19/h17-23H,4-16H2,1-3H3.
What are the key properties of 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 318.59 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 58552538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).