(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one

C9H12O3 — CID 11240710

IUPAC(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one
SMILESC[C@@H]1OC(=O)[C@@H]2C[C@H]3CCO[C@@]312
InChIInChI=1S/C9H12O3/c1-5-9-6(2-3-11-9)4-7(9)8(10)12-5/h5-7H,2-4H2,1H3/t5-,6+,7-,9+/m0/s1
InChIKeyMWGCDXZSRMIHRW-VOQBNFLRSA-N
MW168.19 g/mol
LogP0.73
Rot. Bonds

About (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one

(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one (PubChem CID 11240710) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one.

Molecular Properties

Compound Name(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one
PubChem CID11240710
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one
SMILESC[C@@H]1OC(=O)[C@@H]2C[C@H]3CCO[C@@]312
InChIInChI=1S/C9H12O3/c1-5-9-6(2-3-11-9)4-7(9)8(10)12-5/h5-7H,2-4H2,1H3/t5-,6+,7-,9+/m0/s1
InChIKeyMWGCDXZSRMIHRW-VOQBNFLRSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one with MolForge

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Related Compounds

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3,6-dimethyl-1,4-dioxane-2,5-dione;oxirane
CID 87489456
(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one
CID 131092096
(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one
CID 10442331
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
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CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
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(9R)-12-bromospiro[3-oxatricyclo[6.2.2.01,6]dodec-11-ene-9,2'-oxirane]-10-one
CID 25060552
(3R)-3-methyloxan-2-one
CID 11804714
(1R,3aR,9aS)-1,9a-dimethyl-3a,4,7,8,8a,9-hexahydro-1H-benzo[f][2]benzofuran-3,6-dione
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Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one?
The IUPAC name of (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one (CID 11240710) is (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one.
What is the SMILES notation for (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one?
The canonical SMILES for (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one is C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCO[C@@]312.
What is the InChIKey of (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one?
The InChIKey is MWGCDXZSRMIHRW-VOQBNFLRSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-9-6(2-3-11-9)4-7(9)8(10)12-5/h5-7H,2-4H2,1H3/t5-,6+,7-,9+/m0/s1.
What are the key properties of (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one?
(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one has a molecular weight of 168.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one is sourced from PubChem (CID 11240710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).