1,4-dimethylcubane

C10H12 — CID 11819116

IUPAC1,4-dimethylcubane
SMILESCC12C3C4C1C1C2C3C41C
InChIInChI=1S/C10H12/c1-9-3-6-4(9)8-5(9)7(3)10(6,8)2/h3-8H,1-2H3
InChIKeyVXKZGIBYDXIQRO-UHFFFAOYSA-N
MW132.21 g/mol
LogP1.76
Rot. Bonds

About 1,4-dimethylcubane

1,4-dimethylcubane (PubChem CID 11819116) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,4-dimethylcubane.

Molecular Properties

Compound Name1,4-dimethylcubane
PubChem CID11819116
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1,4-dimethylcubane
SMILESCC12C3C4C1C1C2C3C41C
InChIInChI=1S/C10H12/c1-9-3-6-4(9)8-5(9)7(3)10(6,8)2/h3-8H,1-2H3
InChIKeyVXKZGIBYDXIQRO-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcubane?
The IUPAC name of 1,4-dimethylcubane (CID 11819116) is 1,4-dimethylcubane.
What is the SMILES notation for 1,4-dimethylcubane?
The canonical SMILES for 1,4-dimethylcubane is CC12C3C4C1C1C2C3C41C.
What is the InChIKey of 1,4-dimethylcubane?
The InChIKey is VXKZGIBYDXIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-9-3-6-4(9)8-5(9)7(3)10(6,8)2/h3-8H,1-2H3.
What are the key properties of 1,4-dimethylcubane?
1,4-dimethylcubane has a molecular weight of 132.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcubane is sourced from PubChem (CID 11819116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).