methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane

C39H92 — CID 161317011

IUPACmethane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
SMILESC.C.C.C.C.C.C.C.C.C.CC1CCC(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C29H52.10CH4/c1-22-3-7-24(8-4-22)19-26-11-15-28(16-12-26)21-29-17-13-27(14-18-29)20-25-9-5-23(2)6-10-25;;;;;;;;;;/h22-29H,3-21H2,1-2H3;10*1H4
InChIKeyVJPZKYWDZCLPTI-UHFFFAOYSA-N
MW561.17 g/mol
LogP15.78
Rot. Bonds6

About methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane (PubChem CID 161317011) has the molecular formula C39H92 and a molecular weight of 561.17 g/mol. Its IUPAC name is methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane.

Molecular Properties

Compound Namemethane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
PubChem CID161317011
Molecular FormulaC39H92
Molecular Weight561.17 g/mol
Exact Mass560.72
IUPAC Namemethane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
SMILESC.C.C.C.C.C.C.C.C.C.CC1CCC(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C29H52.10CH4/c1-22-3-7-24(8-4-22)19-26-11-15-28(16-12-26)21-29-17-13-27(14-18-29)20-25-9-5-23(2)6-10-25;;;;;;;;;;/h22-29H,3-21H2,1-2H3;10*1H4
InChIKeyVJPZKYWDZCLPTI-UHFFFAOYSA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.17
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane with MolForge

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Related Compounds

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055
6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
CID 167617145
(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione
CID 59938766
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane?
The IUPAC name of methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane (CID 161317011) is methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane.
What is the SMILES notation for methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane?
The canonical SMILES for methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane is C.C.C.C.C.C.C.C.C.C.CC1CCC(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane?
The InChIKey is VJPZKYWDZCLPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52.10CH4/c1-22-3-7-24(8-4-22)19-26-11-15-28(16-12-26)21-29-17-13-27(14-18-29)20-25-9-5-23(2)6-10-25;;;;;;;;;;/h22-29H,3-21H2,1-2H3;10*1H4.
What are the key properties of methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane?
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane has a molecular weight of 561.17 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane is sourced from PubChem (CID 161317011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).