ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene

C52H110 — CID 158300950

IUPACethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
SMILESC.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(Cc2ccc(Cc3ccc(C4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C28H32.9C2H6.6CH4/c1-21-3-7-23(8-4-21)19-24-9-11-25(12-10-24)20-26-13-17-28(18-14-26)27-15-5-22(2)6-16-27;9*1-2;;;;;;/h3-4,7-14,17-18,22,27H,5-6,15-16,19-20H2,1-2H3;9*1-2H3;6*1H4
InChIKeyGMMJGACIOLOGOZ-UHFFFAOYSA-N
MW735.45 g/mol
LogP20.52
Rot. Bonds5

About ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene

ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene (PubChem CID 158300950) has the molecular formula C52H110 and a molecular weight of 735.45 g/mol. Its IUPAC name is ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Nameethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
PubChem CID158300950
Molecular FormulaC52H110
Molecular Weight735.45 g/mol
Exact Mass734.86
IUPAC Nameethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
SMILESC.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(Cc2ccc(Cc3ccc(C4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C28H32.9C2H6.6CH4/c1-21-3-7-23(8-4-21)19-24-9-11-25(12-10-24)20-26-13-17-28(18-14-26)27-15-5-22(2)6-16-27;9*1-2;;;;;;/h3-4,7-14,17-18,22,27H,5-6,15-16,19-20H2,1-2H3;9*1-2H3;6*1H4
InChIKeyGMMJGACIOLOGOZ-UHFFFAOYSA-N
XLogP20.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.45
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene?
The IUPAC name of ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene (CID 158300950) is ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene.
What is the SMILES notation for ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene?
The canonical SMILES for ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene is C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(Cc2ccc(Cc3ccc(C4CCC(C)CC4)cc3)cc2)cc1.
What is the InChIKey of ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene?
The InChIKey is GMMJGACIOLOGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32.9C2H6.6CH4/c1-21-3-7-23(8-4-21)19-24-9-11-25(12-10-24)20-26-13-17-28(18-14-26)27-15-5-22(2)6-16-27;9*1-2;;;;;;/h3-4,7-14,17-18,22,27H,5-6,15-16,19-20H2,1-2H3;9*1-2H3;6*1H4.
What are the key properties of ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene?
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene has a molecular weight of 735.45 g/mol, XLogP of 20.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene is sourced from PubChem (CID 158300950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).