ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane

C46H80 — CID 54345926

IUPACethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
SMILESCC.CC1CCC(CCC2CCC(C3CCC(C)CC3)CC2)CC1.Cc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C22H40.C22H34.C2H6/c2*1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-2/h17-22H,3-16H2,1-2H3;3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;1-2H3
InChIKeyUCHSPSZKUPCGQO-UHFFFAOYSA-N
MW633.15 g/mol
LogP14.81
Rot. Bonds8

About ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane

ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 54345926) has the molecular formula C46H80 and a molecular weight of 633.15 g/mol. Its IUPAC name is ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Nameethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
PubChem CID54345926
Molecular FormulaC46H80
Molecular Weight633.15 g/mol
Exact Mass632.63
IUPAC Nameethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
SMILESCC.CC1CCC(CCC2CCC(C3CCC(C)CC3)CC2)CC1.Cc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C22H40.C22H34.C2H6/c2*1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-2/h17-22H,3-16H2,1-2H3;3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;1-2H3
InChIKeyUCHSPSZKUPCGQO-UHFFFAOYSA-N
XLogP14.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.15
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane with MolForge

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Related Compounds

1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
CID 143210127
(4-methylphenyl) 4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzoate
CID 59938822
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
CID 59931239
3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
CID 21265168
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
CID 20632303
CID 20632303
1,4-bis(4-methylcyclohexyl)benzene;1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene;1,2,3-trimethyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trimethyl-4-(4-methylphenyl)benzene
CID 159498675
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene
CID 59931361
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane (CID 54345926) is ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane is CC.CC1CCC(CCC2CCC(C3CCC(C)CC3)CC2)CC1.Cc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1.
What is the InChIKey of ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is UCHSPSZKUPCGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40.C22H34.C2H6/c2*1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-2/h17-22H,3-16H2,1-2H3;3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane?
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 633.15 g/mol, XLogP of 14.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 54345926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).