9-methyltricyclo[5.2.1.02,6]decan-8-one

C11H16O — CID 71371178

IUPAC9-methyltricyclo[5.2.1.02,6]decan-8-one
SMILESCC1C(=O)C2CC1C1CCCC21
InChIInChI=1S/C11H16O/c1-6-9-5-10(11(6)12)8-4-2-3-7(8)9/h6-10H,2-5H2,1H3
InChIKeyQMEHSEMGSJQQJR-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds

About 9-methyltricyclo[5.2.1.02,6]decan-8-one

9-methyltricyclo[5.2.1.02,6]decan-8-one (PubChem CID 71371178) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 9-methyltricyclo[5.2.1.02,6]decan-8-one.

Molecular Properties

Compound Name9-methyltricyclo[5.2.1.02,6]decan-8-one
PubChem CID71371178
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name9-methyltricyclo[5.2.1.02,6]decan-8-one
SMILESCC1C(=O)C2CC1C1CCCC21
InChIInChI=1S/C11H16O/c1-6-9-5-10(11(6)12)8-4-2-3-7(8)9/h6-10H,2-5H2,1H3
InChIKeyQMEHSEMGSJQQJR-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyltricyclo[5.2.1.02,6]decan-8-one?
The IUPAC name of 9-methyltricyclo[5.2.1.02,6]decan-8-one (CID 71371178) is 9-methyltricyclo[5.2.1.02,6]decan-8-one.
What is the SMILES notation for 9-methyltricyclo[5.2.1.02,6]decan-8-one?
The canonical SMILES for 9-methyltricyclo[5.2.1.02,6]decan-8-one is CC1C(=O)C2CC1C1CCCC21.
What is the InChIKey of 9-methyltricyclo[5.2.1.02,6]decan-8-one?
The InChIKey is QMEHSEMGSJQQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-6-9-5-10(11(6)12)8-4-2-3-7(8)9/h6-10H,2-5H2,1H3.
What are the key properties of 9-methyltricyclo[5.2.1.02,6]decan-8-one?
9-methyltricyclo[5.2.1.02,6]decan-8-one has a molecular weight of 164.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyltricyclo[5.2.1.02,6]decan-8-one is sourced from PubChem (CID 71371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).