bis(cyclohexane);ethane;propane

C27H66 — CID 160925836

IUPACbis(cyclohexane);ethane;propane
SMILESC1CCCCC1.C1CCCCC1.CC.CC.CC.CCC.CCC.CCC
InChIInChI=1S/2C6H12.3C3H8.3C2H6/c2*1-2-4-6-5-3-1;3*1-3-2;3*1-2/h2*1-6H2;3*3H2,1-2H3;3*1-2H3
InChIKeySSPYNEWBECQJBO-UHFFFAOYSA-N
MW390.83 g/mol
LogP12.01
Rot. Bonds

About bis(cyclohexane);ethane;propane

bis(cyclohexane);ethane;propane (PubChem CID 160925836) has the molecular formula C27H66 and a molecular weight of 390.83 g/mol. Its IUPAC name is bis(cyclohexane);ethane;propane.

Molecular Properties

Compound Namebis(cyclohexane);ethane;propane
PubChem CID160925836
Molecular FormulaC27H66
Molecular Weight390.83 g/mol
Exact Mass390.52
IUPAC Namebis(cyclohexane);ethane;propane
SMILESC1CCCCC1.C1CCCCC1.CC.CC.CC.CCC.CCC.CCC
InChIInChI=1S/2C6H12.3C3H8.3C2H6/c2*1-2-4-6-5-3-1;3*1-3-2;3*1-2/h2*1-6H2;3*3H2,1-2H3;3*1-2H3
InChIKeySSPYNEWBECQJBO-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclobutane;ethane;propane
CID 142065255
bis(cyclohexane);ethane;propane
CID 91197261
cycloheptane;ethane;propane
CID 142095328
tris(cyclohexane);ethane;propane
CID 161084167
cyclohexane;ethane;methane;propane
CID 161168070
butane;cyclobutane;ethane;propane
CID 144515884
cyclopropane;methane;propane
CID 162181556
cyclopropane;ethene;propane
CID 145063751
butane;cyclopropane;ethane
CID 143412650
cyclobutane;ethane;hexane;propane
CID 142383161
benzene;tris(cyclohexane);ethane;methane;propane
CID 160511909
cyclopropane;ethane
CID 143364855

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexane);ethane;propane?
The IUPAC name of bis(cyclohexane);ethane;propane (CID 160925836) 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.CC.CC.CCC.CCC.CCC.
What is the InChIKey of bis(cyclohexane);ethane;propane?
The InChIKey is SSPYNEWBECQJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.3C3H8.3C2H6/c2*1-2-4-6-5-3-1;3*1-3-2;3*1-2/h2*1-6H2;3*3H2,1-2H3;3*1-2H3.
What are the key properties of bis(cyclohexane);ethane;propane?
bis(cyclohexane);ethane;propane has a molecular weight of 390.83 g/mol, XLogP of 12.01, 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 160925836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).