1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane

C58H104 — CID 150042784

IUPAC1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane
SMILESCCC1(C2CCCC2)CCCCCCCCCCC(CC)(C2CCCC2)C(CC)(C2CCCC2)C(CC)(C2CCCC2)C(CC)(C2CCCC2)C1(CC)C1CCCC1
InChIInChI=1S/C58H104/c1-7-53(47-33-19-20-34-47)45-31-17-15-13-14-16-18-32-46-54(8-2,48-35-21-22-36-48)56(10-4,50-39-25-26-40-50)58(12-6,52-43-29-30-44-52)57(11-5,51-41-27-28-42-51)55(53,9-3)49-37-23-24-38-49/h47-52H,7-46H2,1-6H3
InChIKeyDJQHXXLORJUJLS-UHFFFAOYSA-N
MW801.47 g/mol
LogP19.42
Rot. Bonds12

About 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane

1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane (PubChem CID 150042784) has the molecular formula C58H104 and a molecular weight of 801.47 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane
PubChem CID150042784
Molecular FormulaC58H104
Molecular Weight801.47 g/mol
Exact Mass800.81
IUPAC Name1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane
SMILESCCC1(C2CCCC2)CCCCCCCCCCC(CC)(C2CCCC2)C(CC)(C2CCCC2)C(CC)(C2CCCC2)C(CC)(C2CCCC2)C1(CC)C1CCCC1
InChIInChI=1S/C58H104/c1-7-53(47-33-19-20-34-47)45-31-17-15-13-14-16-18-32-46-54(8-2,48-35-21-22-36-48)56(10-4,50-39-25-26-40-50)58(12-6,52-43-29-30-44-52)57(11-5,51-41-27-28-42-51)55(53,9-3)49-37-23-24-38-49/h47-52H,7-46H2,1-6H3
InChIKeyDJQHXXLORJUJLS-UHFFFAOYSA-N
XLogP19.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.47
LogP ≤ 519.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane?
The IUPAC name of 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane (CID 150042784) is 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane.
What is the SMILES notation for 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane?
The canonical SMILES for 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane is CCC1(C2CCCC2)CCCCCCCCCCC(CC)(C2CCCC2)C(CC)(C2CCCC2)C(CC)(C2CCCC2)C(CC)(C2CCCC2)C1(CC)C1CCCC1.
What is the InChIKey of 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane?
The InChIKey is DJQHXXLORJUJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H104/c1-7-53(47-33-19-20-34-47)45-31-17-15-13-14-16-18-32-46-54(8-2,48-35-21-22-36-48)56(10-4,50-39-25-26-40-50)58(12-6,52-43-29-30-44-52)57(11-5,51-41-27-28-42-51)55(53,9-3)49-37-23-24-38-49/h47-52H,7-46H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane?
1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane has a molecular weight of 801.47 g/mol, XLogP of 19.42, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane is sourced from PubChem (CID 150042784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).