dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate

C15H14O6 — CID 70986389

IUPACdimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)[C@@H]2c3cc4c(cc3C12)OCO4
InChIInChI=1S/C15H14O6/c1-18-14(16)12-10-6-3-8-9(21-5-20-8)4-7(6)11(10)13(12)15(17)19-2/h3-4,10-13H,5H2,1-2H3/t10-,11?,12?,13?/m1/s1
InChIKeyCEGWXRXCYVNAMN-PEWWYSNMSA-N
MW290.27 g/mol
LogP1.19
Rot. Bonds2

About dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate

dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate (PubChem CID 70986389) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate.

Molecular Properties

Compound Namedimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate
PubChem CID70986389
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namedimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)[C@@H]2c3cc4c(cc3C12)OCO4
InChIInChI=1S/C15H14O6/c1-18-14(16)12-10-6-3-8-9(21-5-20-8)4-7(6)11(10)13(12)15(17)19-2/h3-4,10-13H,5H2,1-2H3/t10-,11?,12?,13?/m1/s1
InChIKeyCEGWXRXCYVNAMN-PEWWYSNMSA-N
XLogP1.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_465_misc(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate?
The IUPAC name of dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate (CID 70986389) is dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate.
What is the SMILES notation for dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate?
The canonical SMILES for dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate is COC(=O)C1C(C(=O)OC)[C@@H]2c3cc4c(cc3C12)OCO4.
What is the InChIKey of dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate?
The InChIKey is CEGWXRXCYVNAMN-PEWWYSNMSA-N. The full InChI is InChI=1S/C15H14O6/c1-18-14(16)12-10-6-3-8-9(21-5-20-8)4-7(6)11(10)13(12)15(17)19-2/h3-4,10-13H,5H2,1-2H3/t10-,11?,12?,13?/m1/s1.
What are the key properties of dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate?
dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate has a molecular weight of 290.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate is sourced from PubChem (CID 70986389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).