8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione

C12H12O7 — CID 101485823

IUPAC8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione
SMILESCOC12OC3(OC)C4C(=O)OC1C4C1C2OC(=O)C13
InChIInChI=1S/C12H12O7/c1-15-11-5-3-4-6(11)10(14)18-8(4)12(16-2,19-11)7(3)17-9(5)13/h3-8H,1-2H3
InChIKeyVPMSCKYAPHQLSH-UHFFFAOYSA-N
MW268.22 g/mol
LogP-0.96
Rot. Bonds2

About 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione

8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione (PubChem CID 101485823) has the molecular formula C12H12O7 and a molecular weight of 268.22 g/mol. Its IUPAC name is 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione.

Molecular Properties

Compound Name8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione
PubChem CID101485823
Molecular FormulaC12H12O7
Molecular Weight268.22 g/mol
Exact Mass268.06
IUPAC Name8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione
SMILESCOC12OC3(OC)C4C(=O)OC1C4C1C2OC(=O)C13
InChIInChI=1S/C12H12O7/c1-15-11-5-3-4-6(11)10(14)18-8(4)12(16-2,19-11)7(3)17-9(5)13/h3-8H,1-2H3
InChIKeyVPMSCKYAPHQLSH-UHFFFAOYSA-N
XLogP-0.96
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione with MolForge

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Related Compounds

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CID 10423766
4,5-bis(methoxymethyl)-1,3-dioxolan-2-one
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[(1R,4R,6R,9S,10S,11R,12R)-4-bromo-5,5-dimethoxy-3,7-dioxo-2,8-dioxatetracyclo[7.2.1.04,11.06,10]dodecan-12-yl] methanesulfonate
CID 132579385
2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 58734484
(1R)-2,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 129082399
3-methoxy-3,4,4-trimethyloxetan-2-one
CID 12611183
dimethyl (1S,5S,6S,7S)-7-iodo-3-oxo-2-oxabicyclo[3.2.0]heptane-4,6-dicarboxylate
CID 135041164
(1S,2R,5R,6S,9R,10S,12S,13S)-12-hydroxy-9-methoxy-5,9,13-trimethyl-3,14-dioxatetracyclo[8.4.0.01,13.02,6]tetradecan-4-one
CID 162853208
6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one
CID 14326045
(1S,2S,5S,8S,9R,12S,13R,14R)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-3,7,10-trioxapentacyclo[6.4.1.19,12.02,4.05,13]tetradecane-6,11-dione
CID 18557352
(1R,4S,6R,9S,10S,12R,13S,15R)-5,5,16,16-tetramethoxyheptacyclo[7.6.1.02,8.03,7.04,13.06,12.010,15]hexadecane-11,14-dione
CID 10247945
(3R,5S,6R)-6-ethyl-3,5-dimethyloxane-2,4-dione
CID 53348666

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione?
The IUPAC name of 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione (CID 101485823) is 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione.
What is the SMILES notation for 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione?
The canonical SMILES for 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione is COC12OC3(OC)C4C(=O)OC1C4C1C2OC(=O)C13.
What is the InChIKey of 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione?
The InChIKey is VPMSCKYAPHQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O7/c1-15-11-5-3-4-6(11)10(14)18-8(4)12(16-2,19-11)7(3)17-9(5)13/h3-8H,1-2H3.
What are the key properties of 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione?
8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione has a molecular weight of 268.22 g/mol, XLogP of -0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethoxy-5,9,12-trioxapentacyclo[6.5.0.02,11.03,7.04,10]tridecane-6,13-dione is sourced from PubChem (CID 101485823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).