(1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one

C11H16O3 — CID 98135519

IUPAC(1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one
SMILESCO[C@]12OC[C@@]3(C)[C@@H]1CC[C@@]3(C)C2=O
InChIInChI=1S/C11H16O3/c1-9-5-4-7-10(9,2)6-14-11(7,13-3)8(9)12/h7H,4-6H2,1-3H3/t7-,9-,10-,11-/m0/s1
InChIKeyMFLDKCWPBYUANK-ASXGKARISA-N
MW196.25 g/mol
LogP1.36
Rot. Bonds1

About (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one

(1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one (PubChem CID 98135519) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one.

Molecular Properties

Compound Name(1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one
PubChem CID98135519
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one
SMILESCO[C@]12OC[C@@]3(C)[C@@H]1CC[C@@]3(C)C2=O
InChIInChI=1S/C11H16O3/c1-9-5-4-7-10(9,2)6-14-11(7,13-3)8(9)12/h7H,4-6H2,1-3H3/t7-,9-,10-,11-/m0/s1
InChIKeyMFLDKCWPBYUANK-ASXGKARISA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one with MolForge

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Related Compounds

(1S,3S,6S,7R)-1,6-dimethyl-3-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonan-2-one
CID 98135413
(1R,4S)-3,3-dibromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 825790
1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-one
CID 14023804
(1S,2S,5R,6S,9R,10R)-9-methoxy-2,6,10-trimethyl-8-oxatetracyclo[7.3.1.01,5.06,10]tridec-3-en-13-one
CID 101446720
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2,2-dicarboxylic acid
CID 66610288
(1R,3S,4R)-3-bromo-3-(bromomethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 23309185
(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one
CID 98043952
7,7-dimethyl-2,3-dioxabicyclo[2.2.1]heptane;1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 162219278
(1S,5R)-3,3-dibromo-1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
CID 7054424
methyl (1S,4R)-2-azido-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 10911978
(1S,2S,7R,10R,12S)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-one
CID 98136961
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464

Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one?
The IUPAC name of (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one (CID 98135519) is (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one.
What is the SMILES notation for (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one?
The canonical SMILES for (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one is CO[C@]12OC[C@@]3(C)[C@@H]1CC[C@@]3(C)C2=O.
What is the InChIKey of (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one?
The InChIKey is MFLDKCWPBYUANK-ASXGKARISA-N. The full InChI is InChI=1S/C11H16O3/c1-9-5-4-7-10(9,2)6-14-11(7,13-3)8(9)12/h7H,4-6H2,1-3H3/t7-,9-,10-,11-/m0/s1.
What are the key properties of (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one?
(1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6S,7S)-3-methoxy-1,6-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-2-one is sourced from PubChem (CID 98135519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).