1-tert-butyl-4-methylcyclohexane;ethane;methane

C14H32 — CID 143180692

IUPAC1-tert-butyl-4-methylcyclohexane;ethane;methane
SMILESC.CC.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22.C2H6.CH4/c1-9-5-7-10(8-6-9)11(2,3)4;1-2;/h9-10H,5-8H2,1-4H3;1-2H3;1H4
InChIKeyNYVWIHFZDXZPMM-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.52
Rot. Bonds

About 1-tert-butyl-4-methylcyclohexane;ethane;methane

1-tert-butyl-4-methylcyclohexane;ethane;methane (PubChem CID 143180692) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 1-tert-butyl-4-methylcyclohexane;ethane;methane.

Molecular Properties

Compound Name1-tert-butyl-4-methylcyclohexane;ethane;methane
PubChem CID143180692
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name1-tert-butyl-4-methylcyclohexane;ethane;methane
SMILESC.CC.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22.C2H6.CH4/c1-9-5-7-10(8-6-9)11(2,3)4;1-2;/h9-10H,5-8H2,1-4H3;1-2H3;1H4
InChIKeyNYVWIHFZDXZPMM-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium
CID 140778800
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
1,4-ditert-butylcycloheptane
CID 58579546
1,3-ditert-butylcyclopentane;ethane
CID 161179598

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylcyclohexane;ethane;methane?
The IUPAC name of 1-tert-butyl-4-methylcyclohexane;ethane;methane (CID 143180692) is 1-tert-butyl-4-methylcyclohexane;ethane;methane.
What is the SMILES notation for 1-tert-butyl-4-methylcyclohexane;ethane;methane?
The canonical SMILES for 1-tert-butyl-4-methylcyclohexane;ethane;methane is C.CC.CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylcyclohexane;ethane;methane?
The InChIKey is NYVWIHFZDXZPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H6.CH4/c1-9-5-7-10(8-6-9)11(2,3)4;1-2;/h9-10H,5-8H2,1-4H3;1-2H3;1H4.
What are the key properties of 1-tert-butyl-4-methylcyclohexane;ethane;methane?
1-tert-butyl-4-methylcyclohexane;ethane;methane has a molecular weight of 200.41 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylcyclohexane;ethane;methane is sourced from PubChem (CID 143180692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).