2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene

C29H46 — CID 91362545

IUPAC2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene
SMILESCCc1c(C2CCC(C)CC2)cc(C2CCC(C)CC2)cc1C1CCC(C)CC1
InChIInChI=1S/C29H46/c1-5-27-28(24-14-8-21(3)9-15-24)18-26(23-12-6-20(2)7-13-23)19-29(27)25-16-10-22(4)11-17-25/h18-25H,5-17H2,1-4H3
InChIKeyKKNJBEYOMVZCAA-UHFFFAOYSA-N
MW394.69 g/mol
LogP9.13
Rot. Bonds4

About 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene

2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene (PubChem CID 91362545) has the molecular formula C29H46 and a molecular weight of 394.69 g/mol. Its IUPAC name is 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene
PubChem CID91362545
Molecular FormulaC29H46
Molecular Weight394.69 g/mol
Exact Mass394.36
IUPAC Name2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene
SMILESCCc1c(C2CCC(C)CC2)cc(C2CCC(C)CC2)cc1C1CCC(C)CC1
InChIInChI=1S/C29H46/c1-5-27-28(24-14-8-21(3)9-15-24)18-26(23-12-6-20(2)7-13-23)19-29(27)25-16-10-22(4)11-17-25/h18-25H,5-17H2,1-4H3
InChIKeyKKNJBEYOMVZCAA-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene 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

1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene
CID 91346365
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1,5-dichloro-3-cyclopropyl-2-ethylbenzene
CID 123359975
1,3,5-tricyclopropylbenzene
CID 13056331
2,6-dimethyl-4-(4-methylcyclohexyl)benzonitrile
CID 22942556
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 145154508
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
4-cyclopropyl-5-ethyl-6-methylpyridin-2-amine
CID 118491476
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
5-ethyl-6-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 62191021
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene?
The IUPAC name of 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene (CID 91362545) is 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene.
What is the SMILES notation for 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene?
The canonical SMILES for 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene is CCc1c(C2CCC(C)CC2)cc(C2CCC(C)CC2)cc1C1CCC(C)CC1.
What is the InChIKey of 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene?
The InChIKey is KKNJBEYOMVZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46/c1-5-27-28(24-14-8-21(3)9-15-24)18-26(23-12-6-20(2)7-13-23)19-29(27)25-16-10-22(4)11-17-25/h18-25H,5-17H2,1-4H3.
What are the key properties of 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene?
2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene has a molecular weight of 394.69 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene is sourced from PubChem (CID 91362545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).