1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane

C58H88 — CID 159812681

IUPAC1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
SMILESC.C.C.CCc1ccc(CC2CCC(CC3CCC(Cc4ccc(CC)cc4)CC3)CC2)cc1.CCc1ccc(CC2CCC(Cc3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C31H44.C24H32.3CH4/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;;;/h5-12,28-31H,3-4,13-23H2,1-2H3;5-12,23-24H,3-4,13-18H2,1-2H3;3*1H4
InChIKeyNLFPJXFQNZSONU-UHFFFAOYSA-N
MW785.34 g/mol
LogP16.91
Rot. Bonds14

About 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane

1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane (PubChem CID 159812681) has the molecular formula C58H88 and a molecular weight of 785.34 g/mol. Its IUPAC name is 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane.

Molecular Properties

Compound Name1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
PubChem CID159812681
Molecular FormulaC58H88
Molecular Weight785.34 g/mol
Exact Mass784.69
IUPAC Name1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
SMILESC.C.C.CCc1ccc(CC2CCC(CC3CCC(Cc4ccc(CC)cc4)CC3)CC2)cc1.CCc1ccc(CC2CCC(Cc3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C31H44.C24H32.3CH4/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;;;/h5-12,28-31H,3-4,13-23H2,1-2H3;5-12,23-24H,3-4,13-18H2,1-2H3;3*1H4
InChIKeyNLFPJXFQNZSONU-UHFFFAOYSA-N
XLogP16.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.34
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane with MolForge

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Related Compounds

1-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-4-methylbenzene;1-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]-4-[(4-methylcyclohexyl)methyl]benzene;bis(1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]benzene);1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;bis(1-ethyl-4-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene);1-ethyl-4-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane;1-ethyl-4-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]phenyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]phenyl]methyl]benzene
CID 161249358
N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline
CID 58420731
1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene
CID 164652657
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
cyclopropylmethylbenzene;ethane;methane
CID 142248267
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)
CID 59501817
1,4-diethylbenzene;ethane;methane
CID 166131756

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?
The IUPAC name of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane (CID 159812681) is 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane.
What is the SMILES notation for 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?
The canonical SMILES for 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane is C.C.C.CCc1ccc(CC2CCC(CC3CCC(Cc4ccc(CC)cc4)CC3)CC2)cc1.CCc1ccc(CC2CCC(Cc3ccc(CC)cc3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?
The InChIKey is NLFPJXFQNZSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44.C24H32.3CH4/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;;;/h5-12,28-31H,3-4,13-23H2,1-2H3;5-12,23-24H,3-4,13-18H2,1-2H3;3*1H4.
What are the key properties of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?
1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane has a molecular weight of 785.34 g/mol, XLogP of 16.91, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane is sourced from PubChem (CID 159812681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).