dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate

C14H14O6 — CID 98156668

IUPACdimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
SMILESCOC(=O)C12[C@H]3C=C[C@@H](O3)C1(C(=O)OC)[C@H]1C=C[C@H]2O1
InChIInChI=1S/C14H14O6/c1-17-11(15)13-7-3-5-9(19-7)14(13,12(16)18-2)10-6-4-8(13)20-10/h3-10H,1-2H3/t7-,8-,9-,10-,13?,14?/m1/s1
InChIKeyGLEMMZWXHHUZFE-PDGQWUNTSA-N
MW278.26 g/mol
LogP-0.02
Rot. Bonds2

About dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate

dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate (PubChem CID 98156668) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
PubChem CID98156668
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Namedimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
SMILESCOC(=O)C12[C@H]3C=C[C@@H](O3)C1(C(=O)OC)[C@H]1C=C[C@H]2O1
InChIInChI=1S/C14H14O6/c1-17-11(15)13-7-3-5-9(19-7)14(13,12(16)18-2)10-6-4-8(13)20-10/h3-10H,1-2H3/t7-,8-,9-,10-,13?,14?/m1/s1
InChIKeyGLEMMZWXHHUZFE-PDGQWUNTSA-N
XLogP-0.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate with MolForge

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Related Compounds

methyl (1R,2S,4S)-2-bromospiro[7-oxabicyclo[2.2.1]hept-5-ene-3,1'-cyclopropane]-2-carboxylate
CID 15313020
dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate
CID 3519401
methyl (1R,2R,4R)-2-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 90383829
dimethyl (1R,4S,7S,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 98158983
dimethyl (1S,4S,7R,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 10869421
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
methyl (1R,4S,6R,9S)-13-acetyl-14,15-dioxapentacyclo[7.3.1.11,4.16,9.05,13]pentadeca-2,7-diene-5-carboxylate
CID 10685751
methyl (1R,2S,8S)-11-oxatricyclo[6.2.1.02,7]undeca-6,9-diene-2-carboxylate
CID 10726957
dimethyl (1R,4S,6R,9S)-11,14,15-trioxapentacyclo[7.3.1.11,4.16,9.05,13]pentadeca-2,7-diene-5,13-dicarboxylate
CID 10567685
dimethyl pentacyclo[4.3.0.02,4.03,8.05,7]nonane-4,5-dicarboxylate
CID 53375881
dimethyl 5,7-dihydro-1,4-dithiepine-6,6-dicarboxylate
CID 142768836
dimethyl (1S,2R,3S,4S,5S,8R,9R,10R,11S,12R)-hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadec-6-ene-3,10-dicarboxylate
CID 10758670

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate?
The IUPAC name of dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate (CID 98156668) is dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate.
What is the SMILES notation for dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate?
The canonical SMILES for dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate is COC(=O)C12[C@H]3C=C[C@@H](O3)C1(C(=O)OC)[C@H]1C=C[C@H]2O1.
What is the InChIKey of dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate?
The InChIKey is GLEMMZWXHHUZFE-PDGQWUNTSA-N. The full InChI is InChI=1S/C14H14O6/c1-17-11(15)13-7-3-5-9(19-7)14(13,12(16)18-2)10-6-4-8(13)20-10/h3-10H,1-2H3/t7-,8-,9-,10-,13?,14?/m1/s1.
What are the key properties of dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate?
dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate has a molecular weight of 278.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate is sourced from PubChem (CID 98156668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).