methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate

C12H10O4 — CID 134965176

IUPACmethyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate
SMILESCOC(=O)[C@]12C=CC1C1C(=O)C=CC(=O)C12
InChIInChI=1S/C12H10O4/c1-16-11(15)12-5-4-6(12)9-7(13)2-3-8(14)10(9)12/h2-6,9-10H,1H3/t6?,9?,10?,12-/m1/s1
InChIKeyMRCZFKDEMPZNNI-HJGQZZHVSA-N
MW218.21 g/mol
LogP0.29
Rot. Bonds1

About methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate

methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate (PubChem CID 134965176) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate
PubChem CID134965176
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namemethyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate
SMILESCOC(=O)[C@]12C=CC1C1C(=O)C=CC(=O)C12
InChIInChI=1S/C12H10O4/c1-16-11(15)12-5-4-6(12)9-7(13)2-3-8(14)10(9)12/h2-6,9-10H,1H3/t6?,9?,10?,12-/m1/s1
InChIKeyMRCZFKDEMPZNNI-HJGQZZHVSA-N
XLogP0.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate?
The IUPAC name of methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate (CID 134965176) is methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate.
What is the SMILES notation for methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate?
The canonical SMILES for methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate is COC(=O)[C@]12C=CC1C1C(=O)C=CC(=O)C12.
What is the InChIKey of methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate?
The InChIKey is MRCZFKDEMPZNNI-HJGQZZHVSA-N. The full InChI is InChI=1S/C12H10O4/c1-16-11(15)12-5-4-6(12)9-7(13)2-3-8(14)10(9)12/h2-6,9-10H,1H3/t6?,9?,10?,12-/m1/s1.
What are the key properties of methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate?
methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate is sourced from PubChem (CID 134965176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).