dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate

C16H16O6 — CID 134913080

IUPACdimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate
SMILESCOC(=O)C1CC2=C(CC1C(=O)OC)Oc1ccccc1O2
InChIInChI=1S/C16H16O6/c1-19-15(17)9-7-13-14(8-10(9)16(18)20-2)22-12-6-4-3-5-11(12)21-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyJJYYAJJCAVCPBA-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.04
Rot. Bonds2

About dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate

dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate (PubChem CID 134913080) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate
PubChem CID134913080
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Namedimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate
SMILESCOC(=O)C1CC2=C(CC1C(=O)OC)Oc1ccccc1O2
InChIInChI=1S/C16H16O6/c1-19-15(17)9-7-13-14(8-10(9)16(18)20-2)22-12-6-4-3-5-11(12)21-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyJJYYAJJCAVCPBA-UHFFFAOYSA-N
XLogP2.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate?
The IUPAC name of dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate (CID 134913080) is dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate is COC(=O)C1CC2=C(CC1C(=O)OC)Oc1ccccc1O2.
What is the InChIKey of dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate?
The InChIKey is JJYYAJJCAVCPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-19-15(17)9-7-13-14(8-10(9)16(18)20-2)22-12-6-4-3-5-11(12)21-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate?
dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate has a molecular weight of 304.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,3,4-tetrahydrodibenzo-p-dioxin-2,3-dicarboxylate is sourced from PubChem (CID 134913080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).