(1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C10H14O2 — CID 98512064

IUPAC(1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESC[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@]1(C)[C@H]3C2
InChIInChI=1S/C10H14O2/c1-5-6-3-7-8(4-6)12-9(11)10(5,7)2/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8-,10-/m1/s1
InChIKeyAMYNZSIDDBJPQZ-HPFNVAMJSA-N
MW166.22 g/mol
LogP1.59
Rot. Bonds

About (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one

(1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 98512064) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name(1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID98512064
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESC[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@]1(C)[C@H]3C2
InChIInChI=1S/C10H14O2/c1-5-6-3-7-8(4-6)12-9(11)10(5,7)2/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8-,10-/m1/s1
InChIKeyAMYNZSIDDBJPQZ-HPFNVAMJSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one with MolForge

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Related Compounds

6-methyl-9-sulfanyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 146254697
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CID 126687330
(1R,2R,3R,4S,7S,10S,11S,12R,13S,14R,15S,18R,21S,22S)-10,21-dimethyl-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-9,20-dione
CID 124911582
5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione
CID 170152284
(1R,2S,3S,4S,7S,10R,11S,12R,13S,14R,15S,18R,21R,22S)-10,21-dimethyl-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-9,20-dione
CID 124911580
(1R,12R,14S)-6,10-dimethyl-3,11-dioxapentacyclo[8.4.1.01,7.04,14.07,12]pentadec-8-en-2-one
CID 134961874
2,2-dimethyl-4-oxatricyclo[4.3.0.03,8]nonan-5-one
CID 59863847
(3R,3aS,4aR,8aR,9aR)-3-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione
CID 162974837
(2'R,3aR,4aS,8aR,9aR)-2',8a-dimethyl-5-methylidenespiro[3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3,1'-cyclopropane]-2-one
CID 11108081
6-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;trimethyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 90740172
(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one
CID 163800814
5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 21344443

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 98512064) is (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one is C[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@]1(C)[C@H]3C2.
What is the InChIKey of (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is AMYNZSIDDBJPQZ-HPFNVAMJSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-6-3-7-8(4-6)12-9(11)10(5,7)2/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8-,10-/m1/s1.
What are the key properties of (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
(1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,7R,9R)-6,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 98512064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).