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

C15H34 — CID 143180691

IUPAC1-tert-butyl-4-methylcyclohexane;methane;propane
SMILESC.CC1CCC(C(C)(C)C)CC1.CCC
InChIInChI=1S/C11H22.C3H8.CH4/c1-9-5-7-10(8-6-9)11(2,3)4;1-3-2;/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1H4
InChIKeyRMHCVIHUBDPKOR-UHFFFAOYSA-N
MW214.44 g/mol
LogP5.91
Rot. Bonds

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

1-tert-butyl-4-methylcyclohexane;methane;propane (PubChem CID 143180691) has the molecular formula C15H34 and a molecular weight of 214.44 g/mol. Its IUPAC name is 1-tert-butyl-4-methylcyclohexane;methane;propane.

Molecular Properties

Compound Name1-tert-butyl-4-methylcyclohexane;methane;propane
PubChem CID143180691
Molecular FormulaC15H34
Molecular Weight214.44 g/mol
Exact Mass214.27
IUPAC Name1-tert-butyl-4-methylcyclohexane;methane;propane
SMILESC.CC1CCC(C(C)(C)C)CC1.CCC
InChIInChI=1S/C11H22.C3H8.CH4/c1-9-5-7-10(8-6-9)11(2,3)4;1-3-2;/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1H4
InChIKeyRMHCVIHUBDPKOR-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium
CID 140778800
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylcyclohexane;methane;propane?
The IUPAC name of 1-tert-butyl-4-methylcyclohexane;methane;propane (CID 143180691) is 1-tert-butyl-4-methylcyclohexane;methane;propane.
What is the SMILES notation for 1-tert-butyl-4-methylcyclohexane;methane;propane?
The canonical SMILES for 1-tert-butyl-4-methylcyclohexane;methane;propane is C.CC1CCC(C(C)(C)C)CC1.CCC.
What is the InChIKey of 1-tert-butyl-4-methylcyclohexane;methane;propane?
The InChIKey is RMHCVIHUBDPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C3H8.CH4/c1-9-5-7-10(8-6-9)11(2,3)4;1-3-2;/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1H4.
What are the key properties of 1-tert-butyl-4-methylcyclohexane;methane;propane?
1-tert-butyl-4-methylcyclohexane;methane;propane has a molecular weight of 214.44 g/mol, XLogP of 5.91, 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;methane;propane is sourced from PubChem (CID 143180691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).