tricyclo[5.2.1.01,6]decan-9-one

C10H14O — CID 13093324

IUPACtricyclo[5.2.1.01,6]decan-9-one
SMILESO=C1CC2CC13CCCCC23
InChIInChI=1S/C10H14O/c11-9-5-7-6-10(9)4-2-1-3-8(7)10/h7-8H,1-6H2
InChIKeyHLEAWGZYHONGEY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds

About tricyclo[5.2.1.01,6]decan-9-one

tricyclo[5.2.1.01,6]decan-9-one (PubChem CID 13093324) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is tricyclo[5.2.1.01,6]decan-9-one.

Molecular Properties

Compound Nametricyclo[5.2.1.01,6]decan-9-one
PubChem CID13093324
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Nametricyclo[5.2.1.01,6]decan-9-one
SMILESO=C1CC2CC13CCCCC23
InChIInChI=1S/C10H14O/c11-9-5-7-6-10(9)4-2-1-3-8(7)10/h7-8H,1-6H2
InChIKeyHLEAWGZYHONGEY-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5R,6R)-tricyclo[4.2.2.01,5]decan-8-one
CID 95858532
(1S,5S,6S)-tricyclo[4.2.2.01,5]decan-8-one
CID 99726601
(3R)-2,2-dichloro-3-cyclohexylcyclobutan-1-one
CID 129321055
1-(cyclohexylmethoxy)spiro[3.4]octan-3-one
CID 66368904
CID 177095307
CID 177095307
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
(6S)-11-hydroxyspiro[5.5]undecan-5-one
CID 157212438
9-methylspiro[3.5]nonan-3-one
CID 557033
(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one
CID 134922448
(5S,6R)-5-hydroxyspiro[5.6]dodecan-12-one
CID 25240702
1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one
CID 66367438
1-propan-2-yloxyspiro[3.5]nonan-3-one
CID 66367846

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.01,6]decan-9-one?
The IUPAC name of tricyclo[5.2.1.01,6]decan-9-one (CID 13093324) is tricyclo[5.2.1.01,6]decan-9-one.
What is the SMILES notation for tricyclo[5.2.1.01,6]decan-9-one?
The canonical SMILES for tricyclo[5.2.1.01,6]decan-9-one is O=C1CC2CC13CCCCC23.
What is the InChIKey of tricyclo[5.2.1.01,6]decan-9-one?
The InChIKey is HLEAWGZYHONGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-9-5-7-6-10(9)4-2-1-3-8(7)10/h7-8H,1-6H2.
What are the key properties of tricyclo[5.2.1.01,6]decan-9-one?
tricyclo[5.2.1.01,6]decan-9-one has a molecular weight of 150.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.01,6]decan-9-one is sourced from PubChem (CID 13093324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).