dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate

C16H14O4 — CID 12827002

IUPACdimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2=CC=C3C=CC=C1[C@@]32C
InChIInChI=1S/C16H14O4/c1-16-9-5-4-6-10(16)12(14(17)19-2)13(15(18)20-3)11(16)8-7-9/h4-8H,1-3H3/t16-/m1/s1
InChIKeyPKRRLULJMZHYRO-MRXNPFEDSA-N
MW270.28 g/mol
LogP2.01
Rot. Bonds2

About dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate

dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate (PubChem CID 12827002) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate
PubChem CID12827002
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namedimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2=CC=C3C=CC=C1[C@@]32C
InChIInChI=1S/C16H14O4/c1-16-9-5-4-6-10(16)12(14(17)19-2)13(15(18)20-3)11(16)8-7-9/h4-8H,1-3H3/t16-/m1/s1
InChIKeyPKRRLULJMZHYRO-MRXNPFEDSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate with MolForge

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Related Compounds

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CID 10666598
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CID 54708782
methyl 3,3-dimethyl-6-oxocyclohexa-1,4-diene-1-carboxylate
CID 10965121
methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate
CID 175387361
dimethyl (1R)-1-[(1S)-1,3-bis(methoxycarbonyl)-2-oxo-6-propan-2-ylazulen-1-yl]-2-oxo-6-propan-2-ylazulene-1,3-dicarboxylate
CID 102009207
dimethyl (1R)-1-[(1R)-1,3-bis(methoxycarbonyl)-2-oxo-6-propan-2-ylazulen-1-yl]-2-oxo-6-propan-2-ylazulene-1,3-dicarboxylate
CID 102009209
methyl 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylate
CID 151434203
methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate
CID 121219205
methyl 2-ethyl-4,4-dimethyl-5-oxocyclopentene-1-carboxylate
CID 13293789
dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
CID 5358294
methyl 5,5-dimethylcyclohexene-1-carboxylate
CID 20694542

Frequently Asked Questions

What is the IUPAC name of dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate?
The IUPAC name of dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate (CID 12827002) is dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate?
The canonical SMILES for dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2=CC=C3C=CC=C1[C@@]32C.
What is the InChIKey of dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate?
The InChIKey is PKRRLULJMZHYRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14O4/c1-16-9-5-4-6-10(16)12(14(17)19-2)13(15(18)20-3)11(16)8-7-9/h4-8H,1-3H3/t16-/m1/s1.
What are the key properties of dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate?
dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate has a molecular weight of 270.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (11R)-11-methyltricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate is sourced from PubChem (CID 12827002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).