dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate

C16H14O5 — CID 102242359

IUPACdimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C3OC(c4ccccc43)C12
InChIInChI=1S/C16H14O5/c1-19-15(17)11-9-10(12(11)16(18)20-2)14-8-6-4-3-5-7(8)13(9)21-14/h3-6,9-10,13-14H,1-2H3
InChIKeyNFFCBWCGZGWQJS-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.70
Rot. Bonds2

About dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate

dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate (PubChem CID 102242359) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate.

Molecular Properties

Compound Namedimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate
PubChem CID102242359
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namedimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C3OC(c4ccccc43)C12
InChIInChI=1S/C16H14O5/c1-19-15(17)11-9-10(12(11)16(18)20-2)14-8-6-4-3-5-7(8)13(9)21-14/h3-6,9-10,13-14H,1-2H3
InChIKeyNFFCBWCGZGWQJS-UHFFFAOYSA-N
XLogP1.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate with MolForge

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Related Compounds

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CID 44725155
methyl (1S,12S)-9-oxo-19-oxa-10-azapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-3(8),4,6,13,15,17-hexaene-5-carboxylate
CID 132500760
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CID 132961918
methyl (1R,2R,8R,9R)-16-oxa-5-azatetracyclo[7.6.1.02,8.010,15]hexadeca-3,6,10,12,14-pentaene-5-carboxylate
CID 98554703
dimethyl (1R,2S,10S,11R)-9-oxatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraene-12,13-dicarboxylate
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CID 131668060
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CID 134890371
tetramethyl (2S,3R,4S,5S,12R,13R,14S,15R,17S,18R,19S,20S,27R,28R,29S,30R)-31,32,33,34,35-pentaoxadodecacyclo[14.14.1.13,14.15,12.118,29.120,27.02,15.04,13.06,11.017,30.019,28.021,26]pentatriaconta-6,8,10,21,23,25-hexaene-3,14,18,29-tetracarboxylate
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CID 19816670
dimethyl (1S,2S,11R,12R)-15-oxatetracyclo[10.2.1.02,11.03,10]pentadeca-3(10),13-diene-13,14-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate?
The IUPAC name of dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate (CID 102242359) is dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate.
What is the SMILES notation for dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate?
The canonical SMILES for dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2C3OC(c4ccccc43)C12.
What is the InChIKey of dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate?
The InChIKey is NFFCBWCGZGWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-15(17)11-9-10(12(11)16(18)20-2)14-8-6-4-3-5-7(8)13(9)21-14/h3-6,9-10,13-14H,1-2H3.
What are the key properties of dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate?
dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate has a molecular weight of 286.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate is sourced from PubChem (CID 102242359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).