1-methylcubane

C9H10 — CID 13245707

IUPAC1-methylcubane
SMILESCC12C3C4C5C3C1C5C42
InChIInChI=1S/C9H10/c1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8H,1H3
InChIKeyUXKDTZFBSHLJOY-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.37
Rot. Bonds

About 1-methylcubane

1-methylcubane (PubChem CID 13245707) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-methylcubane.

Molecular Properties

Compound Name1-methylcubane
PubChem CID13245707
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name1-methylcubane
SMILESCC12C3C4C5C3C1C5C42
InChIInChI=1S/C9H10/c1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8H,1H3
InChIKeyUXKDTZFBSHLJOY-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methylcubane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylcubane?
The IUPAC name of 1-methylcubane (CID 13245707) is 1-methylcubane.
What is the SMILES notation for 1-methylcubane?
The canonical SMILES for 1-methylcubane is CC12C3C4C5C3C1C5C42.
What is the InChIKey of 1-methylcubane?
The InChIKey is UXKDTZFBSHLJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8H,1H3.
What are the key properties of 1-methylcubane?
1-methylcubane has a molecular weight of 118.18 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcubane is sourced from PubChem (CID 13245707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).