cyclohexane;2,2-dimethylpropane;ethane

C15H36 — CID 91094358

IUPACcyclohexane;2,2-dimethylpropane;ethane
SMILESC1CCCCC1.CC.CC.CC(C)(C)C
InChIInChI=1S/C6H12.C5H12.2C2H6/c1-2-4-6-5-3-1;1-5(2,3)4;2*1-2/h1-6H2;1-4H3;2*1-2H3
InChIKeyVMFPQDFKRWWUEQ-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.45
Rot. Bonds

About cyclohexane;2,2-dimethylpropane;ethane

cyclohexane;2,2-dimethylpropane;ethane (PubChem CID 91094358) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is cyclohexane;2,2-dimethylpropane;ethane.

Molecular Properties

Compound Namecyclohexane;2,2-dimethylpropane;ethane
PubChem CID91094358
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Namecyclohexane;2,2-dimethylpropane;ethane
SMILESC1CCCCC1.CC.CC.CC(C)(C)C
InChIInChI=1S/C6H12.C5H12.2C2H6/c1-2-4-6-5-3-1;1-5(2,3)4;2*1-2/h1-6H2;1-4H3;2*1-2H3
InChIKeyVMFPQDFKRWWUEQ-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;2,2-dimethylpropane;ethane?
The IUPAC name of cyclohexane;2,2-dimethylpropane;ethane (CID 91094358) is cyclohexane;2,2-dimethylpropane;ethane.
What is the SMILES notation for cyclohexane;2,2-dimethylpropane;ethane?
The canonical SMILES for cyclohexane;2,2-dimethylpropane;ethane is C1CCCCC1.CC.CC.CC(C)(C)C.
What is the InChIKey of cyclohexane;2,2-dimethylpropane;ethane?
The InChIKey is VMFPQDFKRWWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H12.2C2H6/c1-2-4-6-5-3-1;1-5(2,3)4;2*1-2/h1-6H2;1-4H3;2*1-2H3.
What are the key properties of cyclohexane;2,2-dimethylpropane;ethane?
cyclohexane;2,2-dimethylpropane;ethane has a molecular weight of 216.45 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2,2-dimethylpropane;ethane is sourced from PubChem (CID 91094358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).