dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate

C15H18O5 — CID 11185020

IUPACdimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(C)C(=O)[C@H]3CC[C@@H]1[C@@H]23
InChIInChI=1S/C15H18O5/c1-7-9-6-15(13(17)19-2,14(18)20-3)10-5-4-8(11(9)10)12(7)16/h8,10-11H,4-6H2,1-3H3/t8-,10+,11+/m0/s1
InChIKeyPJRBMCFVCNIQPT-JMJZKYOTSA-N
MW278.30 g/mol
LogP1.26
Rot. Bonds2

About dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate

dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate (PubChem CID 11185020) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate
PubChem CID11185020
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namedimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(C)C(=O)[C@H]3CC[C@@H]1[C@@H]23
InChIInChI=1S/C15H18O5/c1-7-9-6-15(13(17)19-2,14(18)20-3)10-5-4-8(11(9)10)12(7)16/h8,10-11H,4-6H2,1-3H3/t8-,10+,11+/m0/s1
InChIKeyPJRBMCFVCNIQPT-JMJZKYOTSA-N
XLogP1.26
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate?
The IUPAC name of dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate (CID 11185020) is dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate?
The canonical SMILES for dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=C(C)C(=O)[C@H]3CC[C@@H]1[C@@H]23.
What is the InChIKey of dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate?
The InChIKey is PJRBMCFVCNIQPT-JMJZKYOTSA-N. The full InChI is InChI=1S/C15H18O5/c1-7-9-6-15(13(17)19-2,14(18)20-3)10-5-4-8(11(9)10)12(7)16/h8,10-11H,4-6H2,1-3H3/t8-,10+,11+/m0/s1.
What are the key properties of dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate?
dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate has a molecular weight of 278.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,7S,10R)-5-methyl-6-oxotricyclo[5.2.1.04,10]dec-4-ene-2,2-dicarboxylate is sourced from PubChem (CID 11185020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).