(10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one

C10H14O2 — CID 58140396

IUPAC(10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one
SMILESC[C@@H]1C2CC3C(=O)OCC1C3C2
InChIInChI=1S/C10H14O2/c1-5-6-2-7-8(3-6)10(11)12-4-9(5)7/h5-9H,2-4H2,1H3/t5-,6?,7?,8?,9?/m1/s1
InChIKeyQZVVKEGYCSCZME-YJMOEEQWSA-N
MW166.22 g/mol
LogP1.45
Rot. Bonds

About (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one

(10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one (PubChem CID 58140396) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one.

Molecular Properties

Compound Name(10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one
PubChem CID58140396
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one
SMILESC[C@@H]1C2CC3C(=O)OCC1C3C2
InChIInChI=1S/C10H14O2/c1-5-6-2-7-8(3-6)10(11)12-4-9(5)7/h5-9H,2-4H2,1H3/t5-,6?,7?,8?,9?/m1/s1
InChIKeyQZVVKEGYCSCZME-YJMOEEQWSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,4S,5R,7aS)-5-hydroxy-4-methyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 130892052
(1R,3aR,9aS)-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-3-one
CID 126659535
(3aR,5S,6R,6aS)-5-hydroxy-6-(hydroxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11041169
(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 166653902
5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10-trione;formaldehyde
CID 144980589
(1R,2R,6S,7R)-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-one
CID 100967847
3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one;ethane
CID 91262896
9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 146529876
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 124787625
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 98519994
(3R,5R)-3,5-dimethyloxan-2-one
CID 12759371

Frequently Asked Questions

What is the IUPAC name of (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one?
The IUPAC name of (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one (CID 58140396) is (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one.
What is the SMILES notation for (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one?
The canonical SMILES for (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one is C[C@@H]1C2CC3C(=O)OCC1C3C2.
What is the InChIKey of (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one?
The InChIKey is QZVVKEGYCSCZME-YJMOEEQWSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-6-2-7-8(3-6)10(11)12-4-9(5)7/h5-9H,2-4H2,1H3/t5-,6?,7?,8?,9?/m1/s1.
What are the key properties of (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one?
(10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one is sourced from PubChem (CID 58140396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).