1,2,3,4,5,6,7,8-octamethylcubane

C16H24 — CID 14943279

IUPAC1,2,3,4,5,6,7,8-octamethylcubane
SMILESCC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C
InChIInChI=1S/C16H24/c1-9-10(2)13(5)11(9,3)15(7)12(9,4)14(10,6)16(13,15)8/h1-8H3
InChIKeyVMQYXBMRGAQLBB-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.10
Rot. Bonds

About 1,2,3,4,5,6,7,8-octamethylcubane

1,2,3,4,5,6,7,8-octamethylcubane (PubChem CID 14943279) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octamethylcubane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octamethylcubane
PubChem CID14943279
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,2,3,4,5,6,7,8-octamethylcubane
SMILESCC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C
InChIInChI=1S/C16H24/c1-9-10(2)13(5)11(9,3)15(7)12(9,4)14(10,6)16(13,15)8/h1-8H3
InChIKeyVMQYXBMRGAQLBB-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octamethylcubane?
The IUPAC name of 1,2,3,4,5,6,7,8-octamethylcubane (CID 14943279) is 1,2,3,4,5,6,7,8-octamethylcubane.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octamethylcubane?
The canonical SMILES for 1,2,3,4,5,6,7,8-octamethylcubane is CC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C.
What is the InChIKey of 1,2,3,4,5,6,7,8-octamethylcubane?
The InChIKey is VMQYXBMRGAQLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-9-10(2)13(5)11(9,3)15(7)12(9,4)14(10,6)16(13,15)8/h1-8H3.
What are the key properties of 1,2,3,4,5,6,7,8-octamethylcubane?
1,2,3,4,5,6,7,8-octamethylcubane has a molecular weight of 216.37 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octamethylcubane is sourced from PubChem (CID 14943279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).