1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen

C22H38 — CID 159699937

IUPAC1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
SMILESCc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1.[H][H].[H][H]
InChIInChI=1S/C22H34.2H2/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;;/h3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;2*1H
InChIKeyMXMLQSOGCBEULV-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.05
Rot. Bonds4

About 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen

1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen (PubChem CID 159699937) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
PubChem CID159699937
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
SMILESCc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1.[H][H].[H][H]
InChIInChI=1S/C22H34.2H2/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;;/h3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;2*1H
InChIKeyMXMLQSOGCBEULV-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
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 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen?
The IUPAC name of 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen (CID 159699937) is 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen.
What is the SMILES notation for 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen?
The canonical SMILES for 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen is Cc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1.[H][H].[H][H].
What is the InChIKey of 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen?
The InChIKey is MXMLQSOGCBEULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34.2H2/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;;/h3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;2*1H.
What are the key properties of 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen?
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen has a molecular weight of 302.55 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen is sourced from PubChem (CID 159699937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).