cyclohexane;2,2-dimethylbutane;ethane;propane

C17H40 — CID 91201757

IUPACcyclohexane;2,2-dimethylbutane;ethane;propane
SMILESC1CCCCC1.CC.CCC.CCC(C)(C)C
InChIInChI=1S/C6H12.C6H14.C3H8.C2H6/c1-2-4-6-5-3-1;1-5-6(2,3)4;1-3-2;1-2/h1-6H2;5H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyWNGKWZXMTSALEI-UHFFFAOYSA-N
MW244.51 g/mol
LogP7.23
Rot. Bonds

About cyclohexane;2,2-dimethylbutane;ethane;propane

cyclohexane;2,2-dimethylbutane;ethane;propane (PubChem CID 91201757) has the molecular formula C17H40 and a molecular weight of 244.51 g/mol. Its IUPAC name is cyclohexane;2,2-dimethylbutane;ethane;propane.

Molecular Properties

Compound Namecyclohexane;2,2-dimethylbutane;ethane;propane
PubChem CID91201757
Molecular FormulaC17H40
Molecular Weight244.51 g/mol
Exact Mass244.31
IUPAC Namecyclohexane;2,2-dimethylbutane;ethane;propane
SMILESC1CCCCC1.CC.CCC.CCC(C)(C)C
InChIInChI=1S/C6H12.C6H14.C3H8.C2H6/c1-2-4-6-5-3-1;1-5-6(2,3)4;1-3-2;1-2/h1-6H2;5H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyWNGKWZXMTSALEI-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.51
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;2,2-dimethylbutane;ethane;propane?
The IUPAC name of cyclohexane;2,2-dimethylbutane;ethane;propane (CID 91201757) is cyclohexane;2,2-dimethylbutane;ethane;propane.
What is the SMILES notation for cyclohexane;2,2-dimethylbutane;ethane;propane?
The canonical SMILES for cyclohexane;2,2-dimethylbutane;ethane;propane is C1CCCCC1.CC.CCC.CCC(C)(C)C.
What is the InChIKey of cyclohexane;2,2-dimethylbutane;ethane;propane?
The InChIKey is WNGKWZXMTSALEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H14.C3H8.C2H6/c1-2-4-6-5-3-1;1-5-6(2,3)4;1-3-2;1-2/h1-6H2;5H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of cyclohexane;2,2-dimethylbutane;ethane;propane?
cyclohexane;2,2-dimethylbutane;ethane;propane has a molecular weight of 244.51 g/mol, XLogP of 7.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2,2-dimethylbutane;ethane;propane is sourced from PubChem (CID 91201757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).