2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane

C15H26 — CID 123314990

IUPAC2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane
SMILESCCCC1(C)C(C)CCC2C(C)C13CC23
InChIInChI=1S/C15H26/c1-5-8-14(4)10(2)6-7-12-11(3)15(14)9-13(12)15/h10-13H,5-9H2,1-4H3
InChIKeyASYQPPIRNOKLNA-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.49
Rot. Bonds2

About 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane

2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane (PubChem CID 123314990) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane.

Molecular Properties

Compound Name2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane
PubChem CID123314990
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane
SMILESCCCC1(C)C(C)CCC2C(C)C13CC23
InChIInChI=1S/C15H26/c1-5-8-14(4)10(2)6-7-12-11(3)15(14)9-13(12)15/h10-13H,5-9H2,1-4H3
InChIKeyASYQPPIRNOKLNA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane 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 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane?
The IUPAC name of 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane (CID 123314990) is 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane.
What is the SMILES notation for 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane?
The canonical SMILES for 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane is CCCC1(C)C(C)CCC2C(C)C13CC23.
What is the InChIKey of 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane?
The InChIKey is ASYQPPIRNOKLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-5-8-14(4)10(2)6-7-12-11(3)15(14)9-13(12)15/h10-13H,5-9H2,1-4H3.
What are the key properties of 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane?
2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane has a molecular weight of 206.37 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-trimethyl-2-propyltricyclo[4.2.1.01,7]nonane is sourced from PubChem (CID 123314990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).