bis(cyclohexane);ethane;propane

C20H46 — CID 91197261

IUPACbis(cyclohexane);ethane;propane
SMILESC1CCCCC1.C1CCCCC1.CC.CCC.CCC
InChIInChI=1S/2C6H12.2C3H8.C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;1-2/h2*1-6H2;2*3H2,1-2H3;1-2H3
InChIKeyFHYYJYFEJYDXLJ-UHFFFAOYSA-N
MW286.59 g/mol
LogP8.54
Rot. Bonds

About bis(cyclohexane);ethane;propane

bis(cyclohexane);ethane;propane (PubChem CID 91197261) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is bis(cyclohexane);ethane;propane.

Molecular Properties

Compound Namebis(cyclohexane);ethane;propane
PubChem CID91197261
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Namebis(cyclohexane);ethane;propane
SMILESC1CCCCC1.C1CCCCC1.CC.CCC.CCC
InChIInChI=1S/2C6H12.2C3H8.C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;1-2/h2*1-6H2;2*3H2,1-2H3;1-2H3
InChIKeyFHYYJYFEJYDXLJ-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(cyclohexane);ethane;propane?
The IUPAC name of bis(cyclohexane);ethane;propane (CID 91197261) is bis(cyclohexane);ethane;propane.
What is the SMILES notation for bis(cyclohexane);ethane;propane?
The canonical SMILES for bis(cyclohexane);ethane;propane is C1CCCCC1.C1CCCCC1.CC.CCC.CCC.
What is the InChIKey of bis(cyclohexane);ethane;propane?
The InChIKey is FHYYJYFEJYDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.2C3H8.C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;1-2/h2*1-6H2;2*3H2,1-2H3;1-2H3.
What are the key properties of bis(cyclohexane);ethane;propane?
bis(cyclohexane);ethane;propane has a molecular weight of 286.59 g/mol, XLogP of 8.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexane);ethane;propane is sourced from PubChem (CID 91197261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).