tricyclo[4.3.1.02,9]decan-8-one

C10H14O — CID 123511592

IUPACtricyclo[4.3.1.02,9]decan-8-one
SMILESO=C1CC2CCCC3C(C2)C13
InChIInChI=1S/C10H14O/c11-9-5-6-2-1-3-7-8(4-6)10(7)9/h6-8,10H,1-5H2
InChIKeyVSHJHPFXUGBRQW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About tricyclo[4.3.1.02,9]decan-8-one

tricyclo[4.3.1.02,9]decan-8-one (PubChem CID 123511592) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is tricyclo[4.3.1.02,9]decan-8-one.

Molecular Properties

Compound Nametricyclo[4.3.1.02,9]decan-8-one
PubChem CID123511592
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Nametricyclo[4.3.1.02,9]decan-8-one
SMILESO=C1CC2CCCC3C(C2)C13
InChIInChI=1S/C10H14O/c11-9-5-6-2-1-3-7-8(4-6)10(7)9/h6-8,10H,1-5H2
InChIKeyVSHJHPFXUGBRQW-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.1.02,9]decan-8-one?
The IUPAC name of tricyclo[4.3.1.02,9]decan-8-one (CID 123511592) is tricyclo[4.3.1.02,9]decan-8-one.
What is the SMILES notation for tricyclo[4.3.1.02,9]decan-8-one?
The canonical SMILES for tricyclo[4.3.1.02,9]decan-8-one is O=C1CC2CCCC3C(C2)C13.
What is the InChIKey of tricyclo[4.3.1.02,9]decan-8-one?
The InChIKey is VSHJHPFXUGBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-9-5-6-2-1-3-7-8(4-6)10(7)9/h6-8,10H,1-5H2.
What are the key properties of tricyclo[4.3.1.02,9]decan-8-one?
tricyclo[4.3.1.02,9]decan-8-one has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.1.02,9]decan-8-one is sourced from PubChem (CID 123511592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).