tricyclo[5.2.1.02,6]decan-4-one

C10H14O — CID 549023

IUPACtricyclo[5.2.1.02,6]decan-4-one
SMILESO=C1CC2C3CCC(C3)C2C1
InChIInChI=1S/C10H14O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h6-7,9-10H,1-5H2
InChIKeyAPOQIAWUQHCHQI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About tricyclo[5.2.1.02,6]decan-4-one

tricyclo[5.2.1.02,6]decan-4-one (PubChem CID 549023) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]decan-4-one
PubChem CID549023
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Nametricyclo[5.2.1.02,6]decan-4-one
SMILESO=C1CC2C3CCC(C3)C2C1
InChIInChI=1S/C10H14O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h6-7,9-10H,1-5H2
InChIKeyAPOQIAWUQHCHQI-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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Related Compounds

(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
(3aS,3bS,6aR,7aS)-1,2,3,3a,3b,4,6,6a,7,7a-decahydrocyclopenta[a]pentalen-5-one
CID 159431469
bicyclo[3.2.0]heptan-3-one
CID 12550422
(1S,2S,5R,7S,8R)-5-methyltricyclo[6.2.1.02,7]undecan-4-one
CID 11869761
ethane;(3S,14S)-3-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthren-16-one
CID 144685601
(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
CID 98156442
2,4,5,6,7,8,9,10,11,12,13,14,15,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 90303644
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
(1S,2S,6R,7R)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 11435045
(1S,2R,6S,7R)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 11040886
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 45098317
(1R,2R,4S,5S,8R,9R,11R,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadecane-3,10-dione
CID 98477807

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of tricyclo[5.2.1.02,6]decan-4-one (CID 549023) is tricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for tricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for tricyclo[5.2.1.02,6]decan-4-one is O=C1CC2C3CCC(C3)C2C1.
What is the InChIKey of tricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is APOQIAWUQHCHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h6-7,9-10H,1-5H2.
What are the key properties of tricyclo[5.2.1.02,6]decan-4-one?
tricyclo[5.2.1.02,6]decan-4-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[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 549023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).