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

C52H92 — CID 151667620

IUPAC1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane
SMILESCC1(C2CCCC2)CCCCCCCCCCC(C)(C2CCCC2)C(C)(C2CCCC2)C(C)(C2CCCC2)C(C)(C2CCCC2)C1(C)C1CCCC1
InChIInChI=1S/C52H92/c1-47(41-27-13-14-28-41)39-25-11-9-7-8-10-12-26-40-48(2,42-29-15-16-30-42)50(4,44-33-19-20-34-44)52(6,46-37-23-24-38-46)51(5,45-35-21-22-36-45)49(47,3)43-31-17-18-32-43/h41-46H,7-40H2,1-6H3
InChIKeyQXWCRKDOKAOXTF-UHFFFAOYSA-N
MW717.31 g/mol
LogP17.08
Rot. Bonds6

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

1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane (PubChem CID 151667620) has the molecular formula C52H92 and a molecular weight of 717.31 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane
PubChem CID151667620
Molecular FormulaC52H92
Molecular Weight717.31 g/mol
Exact Mass716.72
IUPAC Name1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane
SMILESCC1(C2CCCC2)CCCCCCCCCCC(C)(C2CCCC2)C(C)(C2CCCC2)C(C)(C2CCCC2)C(C)(C2CCCC2)C1(C)C1CCCC1
InChIInChI=1S/C52H92/c1-47(41-27-13-14-28-41)39-25-11-9-7-8-10-12-26-40-48(2,42-29-15-16-30-42)50(4,44-33-19-20-34-44)52(6,46-37-23-24-38-46)51(5,45-35-21-22-36-45)49(47,3)43-31-17-18-32-43/h41-46H,7-40H2,1-6H3
InChIKeyQXWCRKDOKAOXTF-UHFFFAOYSA-N
XLogP17.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.31
LogP ≤ 517.08
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-hexamethylcyclohexadecane?
The IUPAC name of 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane (CID 151667620) is 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane.
What is the SMILES notation for 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane?
The canonical SMILES for 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane is CC1(C2CCCC2)CCCCCCCCCCC(C)(C2CCCC2)C(C)(C2CCCC2)C(C)(C2CCCC2)C(C)(C2CCCC2)C1(C)C1CCCC1.
What is the InChIKey of 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane?
The InChIKey is QXWCRKDOKAOXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H92/c1-47(41-27-13-14-28-41)39-25-11-9-7-8-10-12-26-40-48(2,42-29-15-16-30-42)50(4,44-33-19-20-34-44)52(6,46-37-23-24-38-46)51(5,45-35-21-22-36-45)49(47,3)43-31-17-18-32-43/h41-46H,7-40H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane?
1,2,3,4,5,6-hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane has a molecular weight of 717.31 g/mol, XLogP of 17.08, 6 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-hexamethylcyclohexadecane is sourced from PubChem (CID 151667620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).