2-methyltricyclo[4.2.1.03,9]nonane

C10H16 — CID 123235760

IUPAC2-methyltricyclo[4.2.1.03,9]nonane
SMILESCC1C2CCC3CCC1C32
InChIInChI=1S/C10H16/c1-6-8-4-2-7-3-5-9(6)10(7)8/h6-10H,2-5H2,1H3
InChIKeySTKOYDKTXNJYMS-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.69
Rot. Bonds

About 2-methyltricyclo[4.2.1.03,9]nonane

2-methyltricyclo[4.2.1.03,9]nonane (PubChem CID 123235760) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methyltricyclo[4.2.1.03,9]nonane.

Molecular Properties

Compound Name2-methyltricyclo[4.2.1.03,9]nonane
PubChem CID123235760
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methyltricyclo[4.2.1.03,9]nonane
SMILESCC1C2CCC3CCC1C32
InChIInChI=1S/C10H16/c1-6-8-4-2-7-3-5-9(6)10(7)8/h6-10H,2-5H2,1H3
InChIKeySTKOYDKTXNJYMS-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyltricyclo[4.2.1.03,9]nonane?
The IUPAC name of 2-methyltricyclo[4.2.1.03,9]nonane (CID 123235760) is 2-methyltricyclo[4.2.1.03,9]nonane.
What is the SMILES notation for 2-methyltricyclo[4.2.1.03,9]nonane?
The canonical SMILES for 2-methyltricyclo[4.2.1.03,9]nonane is CC1C2CCC3CCC1C32.
What is the InChIKey of 2-methyltricyclo[4.2.1.03,9]nonane?
The InChIKey is STKOYDKTXNJYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-8-4-2-7-3-5-9(6)10(7)8/h6-10H,2-5H2,1H3.
What are the key properties of 2-methyltricyclo[4.2.1.03,9]nonane?
2-methyltricyclo[4.2.1.03,9]nonane has a molecular weight of 136.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricyclo[4.2.1.03,9]nonane is sourced from PubChem (CID 123235760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).