methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane

C18H36 — CID 160612898

IUPACmethane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
SMILESC.CC1CCC(C(C)(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C17H32.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;/h13-16H,5-12H2,1-4H3;1H4
InChIKeyRFSCJIZBQJUTFD-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.30
Rot. Bonds2

About methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane

methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane (PubChem CID 160612898) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane.

Molecular Properties

Compound Namemethane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
PubChem CID160612898
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Namemethane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
SMILESC.CC1CCC(C(C)(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C17H32.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;/h13-16H,5-12H2,1-4H3;1H4
InChIKeyRFSCJIZBQJUTFD-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
1-methyl-3-[2-(3-methylcyclopentyl)propan-2-yl]cyclopentane
CID 58630980
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
CID 160718193
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-(2-cyclopentylpropan-2-yl)-3-methylcyclopentane
CID 163483519
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane?
The IUPAC name of methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane (CID 160612898) is methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane.
What is the SMILES notation for methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane?
The canonical SMILES for methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane is C.CC1CCC(C(C)(C)C2CCC(C)CC2)CC1.
What is the InChIKey of methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane?
The InChIKey is RFSCJIZBQJUTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32.CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;/h13-16H,5-12H2,1-4H3;1H4.
What are the key properties of methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane?
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane is sourced from PubChem (CID 160612898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).