5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one

C11H16O3 — CID 45098827

IUPAC5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one
SMILESCC1(C)C2CCC13CCOC3(O)C2=O
InChIInChI=1S/C11H16O3/c1-9(2)7-3-4-10(9)5-6-14-11(10,13)8(7)12/h7,13H,3-6H2,1-2H3
InChIKeyRFCWGDQSKVFFBQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.10
Rot. Bonds

About 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one

5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one (PubChem CID 45098827) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one.

Molecular Properties

Compound Name5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one
PubChem CID45098827
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one
SMILESCC1(C)C2CCC13CCOC3(O)C2=O
InChIInChI=1S/C11H16O3/c1-9(2)7-3-4-10(9)5-6-14-11(10,13)8(7)12/h7,13H,3-6H2,1-2H3
InChIKeyRFCWGDQSKVFFBQ-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2,2,4-trimethyloxan-3-one
CID 14977611
(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one
CID 102312082
(5,5-dimethyl-6-oxo-1-bicyclo[2.1.1]hexanyl)methanesulfonic acid
CID 148551868
3-hydroxy-2,2-dimethyloxan-4-one
CID 14977609
2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one
CID 91374834
(1R,3R,4R)-1,7,7-trimethyl-3-propylbicyclo[2.2.1]heptan-2-one
CID 7053598
2,2-dimethyloxolan-3-one
CID 13010294
(1S,5R)-3,3-dibromo-1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
CID 7054424
(1S,3S,4R)-1,7,7-trimethyl-3-[2-[(1S,2S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptan-2-one
CID 124768639
(1S,3R,4R)-1,7,7-trimethyl-3-[2-[(1S,2R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptan-2-one
CID 98103053
3-cyclopropyl-2,2-dimethyloxolan-3-ol
CID 126990500
8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
CID 11062628

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one?
The IUPAC name of 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one (CID 45098827) is 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one.
What is the SMILES notation for 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one?
The canonical SMILES for 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one is CC1(C)C2CCC13CCOC3(O)C2=O.
What is the InChIKey of 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one?
The InChIKey is RFCWGDQSKVFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(2)7-3-4-10(9)5-6-14-11(10,13)8(7)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one?
5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-6-one is sourced from PubChem (CID 45098827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).