bis(1,4-dimethylcyclohexane);methane;propane

C24H56 — CID 159253657

IUPACbis(1,4-dimethylcyclohexane);methane;propane
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CCC.CCC
InChIInChI=1S/2C8H16.2C3H8.2CH4/c2*1-7-3-5-8(2)6-4-7;2*1-3-2;;/h2*7-8H,3-6H2,1-2H3;2*3H2,1-2H3;2*1H4
InChIKeyKVPRBACEEKYPPQ-UHFFFAOYSA-N
MW344.71 g/mol
LogP9.77
Rot. Bonds

About bis(1,4-dimethylcyclohexane);methane;propane

bis(1,4-dimethylcyclohexane);methane;propane (PubChem CID 159253657) has the molecular formula C24H56 and a molecular weight of 344.71 g/mol. Its IUPAC name is bis(1,4-dimethylcyclohexane);methane;propane.

Molecular Properties

Compound Namebis(1,4-dimethylcyclohexane);methane;propane
PubChem CID159253657
Molecular FormulaC24H56
Molecular Weight344.71 g/mol
Exact Mass344.44
IUPAC Namebis(1,4-dimethylcyclohexane);methane;propane
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CCC.CCC
InChIInChI=1S/2C8H16.2C3H8.2CH4/c2*1-7-3-5-8(2)6-4-7;2*1-3-2;;/h2*7-8H,3-6H2,1-2H3;2*3H2,1-2H3;2*1H4
InChIKeyKVPRBACEEKYPPQ-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
bis(1,4-dimethylcyclohexane);methane
CID 161326462
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
methane;methylcyclohexane;propane
CID 143031585
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
butane;methylcyclopentane
CID 142053859
ethane;methylcyclopentane;propane
CID 142080084
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
ethane;methane;methylcyclopropane
CID 159551011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylcyclohexane);methane;propane?
The IUPAC name of bis(1,4-dimethylcyclohexane);methane;propane (CID 159253657) is bis(1,4-dimethylcyclohexane);methane;propane.
What is the SMILES notation for bis(1,4-dimethylcyclohexane);methane;propane?
The canonical SMILES for bis(1,4-dimethylcyclohexane);methane;propane is C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CCC.CCC.
What is the InChIKey of bis(1,4-dimethylcyclohexane);methane;propane?
The InChIKey is KVPRBACEEKYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16.2C3H8.2CH4/c2*1-7-3-5-8(2)6-4-7;2*1-3-2;;/h2*7-8H,3-6H2,1-2H3;2*3H2,1-2H3;2*1H4.
What are the key properties of bis(1,4-dimethylcyclohexane);methane;propane?
bis(1,4-dimethylcyclohexane);methane;propane has a molecular weight of 344.71 g/mol, XLogP of 9.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylcyclohexane);methane;propane is sourced from PubChem (CID 159253657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).