1-cuban-1-ylcubane

C16H14 — CID 5258394

IUPAC1-cuban-1-ylcubane
SMILESC12C3C4C1C1C2C3C41C12C3C4C5C3C1C5C42
InChIInChI=1S/C16H14/c1-3-9-4(1)11-5(1)10(3)15(9,11)16-12-6-2-7(12)14(16)8(2)13(6)16/h1-14H
InChIKeyQAKDAQSKYVARDS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.72
Rot. Bonds1

About 1-cuban-1-ylcubane

1-cuban-1-ylcubane (PubChem CID 5258394) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cuban-1-ylcubane.

Molecular Properties

Compound Name1-cuban-1-ylcubane
PubChem CID5258394
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-cuban-1-ylcubane
SMILESC12C3C4C1C1C2C3C41C12C3C4C5C3C1C5C42
InChIInChI=1S/C16H14/c1-3-9-4(1)11-5(1)10(3)15(9,11)16-12-6-2-7(12)14(16)8(2)13(6)16/h1-14H
InChIKeyQAKDAQSKYVARDS-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cuban-1-ylcubane?
The IUPAC name of 1-cuban-1-ylcubane (CID 5258394) is 1-cuban-1-ylcubane.
What is the SMILES notation for 1-cuban-1-ylcubane?
The canonical SMILES for 1-cuban-1-ylcubane is C12C3C4C1C1C2C3C41C12C3C4C5C3C1C5C42.
What is the InChIKey of 1-cuban-1-ylcubane?
The InChIKey is QAKDAQSKYVARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-3-9-4(1)11-5(1)10(3)15(9,11)16-12-6-2-7(12)14(16)8(2)13(6)16/h1-14H.
What are the key properties of 1-cuban-1-ylcubane?
1-cuban-1-ylcubane has a molecular weight of 206.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cuban-1-ylcubane is sourced from PubChem (CID 5258394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).