cyclohexane;3,3-diethylpentane;ethane;propane

C22H52 — CID 54554592

IUPACcyclohexane;3,3-diethylpentane;ethane;propane
SMILESC1CCCCC1.CC.CC.CCC.CCC(CC)(CC)CC
InChIInChI=1S/C9H20.C6H12.C3H8.2C2H6/c1-5-9(6-2,7-3)8-4;1-2-4-6-5-3-1;1-3-2;2*1-2/h5-8H2,1-4H3;1-6H2;3H2,1-2H3;2*1-2H3
InChIKeyZMGZVNLGJNRRRN-UHFFFAOYSA-N
MW316.66 g/mol
LogP9.42
Rot. Bonds4

About cyclohexane;3,3-diethylpentane;ethane;propane

cyclohexane;3,3-diethylpentane;ethane;propane (PubChem CID 54554592) has the molecular formula C22H52 and a molecular weight of 316.66 g/mol. Its IUPAC name is cyclohexane;3,3-diethylpentane;ethane;propane.

Molecular Properties

Compound Namecyclohexane;3,3-diethylpentane;ethane;propane
PubChem CID54554592
Molecular FormulaC22H52
Molecular Weight316.66 g/mol
Exact Mass316.41
IUPAC Namecyclohexane;3,3-diethylpentane;ethane;propane
SMILESC1CCCCC1.CC.CC.CCC.CCC(CC)(CC)CC
InChIInChI=1S/C9H20.C6H12.C3H8.2C2H6/c1-5-9(6-2,7-3)8-4;1-2-4-6-5-3-1;1-3-2;2*1-2/h5-8H2,1-4H3;1-6H2;3H2,1-2H3;2*1-2H3
InChIKeyZMGZVNLGJNRRRN-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.66
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;3,3-diethylpentane;ethane;propane?
The IUPAC name of cyclohexane;3,3-diethylpentane;ethane;propane (CID 54554592) is cyclohexane;3,3-diethylpentane;ethane;propane.
What is the SMILES notation for cyclohexane;3,3-diethylpentane;ethane;propane?
The canonical SMILES for cyclohexane;3,3-diethylpentane;ethane;propane is C1CCCCC1.CC.CC.CCC.CCC(CC)(CC)CC.
What is the InChIKey of cyclohexane;3,3-diethylpentane;ethane;propane?
The InChIKey is ZMGZVNLGJNRRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C6H12.C3H8.2C2H6/c1-5-9(6-2,7-3)8-4;1-2-4-6-5-3-1;1-3-2;2*1-2/h5-8H2,1-4H3;1-6H2;3H2,1-2H3;2*1-2H3.
What are the key properties of cyclohexane;3,3-diethylpentane;ethane;propane?
cyclohexane;3,3-diethylpentane;ethane;propane has a molecular weight of 316.66 g/mol, XLogP of 9.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;3,3-diethylpentane;ethane;propane is sourced from PubChem (CID 54554592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).