1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane

C74H146 — CID 167648535

IUPAC1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane
SMILESC.C.C.C.C.C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CC(C)C1.CC1CCC(C)CC1.Cc1ccc2c(c1)CCC(C)C2
InChIInChI=1S/C12H16.C8H16.5C8H14.C6H12.8CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;6*1-7-3-5-8(2)6-4-7;1-5-3-6(2)4-5;;;;;;;;/h3,5,7,10H,4,6,8H2,1-2H3;7-8H,3-6H2,1-2H3;4*3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;5-6H,3-4H2,1-2H3;8*1H4
InChIKeyQFUJFLCJKHSGPA-UHFFFAOYSA-N
MW1035.98 g/mol
LogP26.71
Rot. Bonds

About 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane

1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane (PubChem CID 167648535) has the molecular formula C74H146 and a molecular weight of 1035.98 g/mol. Its IUPAC name is 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane.

Molecular Properties

Compound Name1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane
PubChem CID167648535
Molecular FormulaC74H146
Molecular Weight1035.98 g/mol
Exact Mass1035.14
IUPAC Name1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane
SMILESC.C.C.C.C.C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CC(C)C1.CC1CCC(C)CC1.Cc1ccc2c(c1)CCC(C)C2
InChIInChI=1S/C12H16.C8H16.5C8H14.C6H12.8CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;6*1-7-3-5-8(2)6-4-7;1-5-3-6(2)4-5;;;;;;;;/h3,5,7,10H,4,6,8H2,1-2H3;7-8H,3-6H2,1-2H3;4*3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;5-6H,3-4H2,1-2H3;8*1H4
InChIKeyQFUJFLCJKHSGPA-UHFFFAOYSA-N
XLogP26.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.98
LogP ≤ 526.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane with MolForge

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Related Compounds

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
1,4-dimethyl(113C)cyclohexene
CID 11018826
1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
CID 143612352
1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;2,5-dimethyl-2,3-dihydro-1H-indene;2,5-dimethyloxolane;methane;1,4-xylene
CID 158714842
tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium
CID 159607097
bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 157425952
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2-fluoro-1,4-dimethylcyclohexane);molecular hydrogen;trihydrate
CID 160605414
1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 158990896
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene
CID 142844577
1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;bis(2,5-dimethyloxane);molecular hydrogen
CID 161124152
(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 143761484

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane?
The IUPAC name of 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane (CID 167648535) is 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane.
What is the SMILES notation for 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane?
The canonical SMILES for 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane is C.C.C.C.C.C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CC(C)C1.CC1CCC(C)CC1.Cc1ccc2c(c1)CCC(C)C2.
What is the InChIKey of 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane?
The InChIKey is QFUJFLCJKHSGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C8H16.5C8H14.C6H12.8CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;6*1-7-3-5-8(2)6-4-7;1-5-3-6(2)4-5;;;;;;;;/h3,5,7,10H,4,6,8H2,1-2H3;7-8H,3-6H2,1-2H3;4*3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;5-6H,3-4H2,1-2H3;8*1H4.
What are the key properties of 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane?
1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane has a molecular weight of 1035.98 g/mol, XLogP of 26.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;tetrakis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;2,6-dimethyl-1,2,3,4-tetrahydronaphthalene;methane is sourced from PubChem (CID 167648535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).