dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate

C15H20O4 — CID 14903704

IUPACdimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=CC1CCCC/C=C\2
InChIInChI=1S/C15H20O4/c1-18-13(16)15(14(17)19-2)10-11-7-5-3-4-6-8-12(15)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3/b7-5-
InChIKeyKLIGEBNKOSHKJR-ALCCZGGFSA-N
MW264.32 g/mol
LogP2.40
Rot. Bonds2

About dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate

dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate (PubChem CID 14903704) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate
PubChem CID14903704
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namedimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=CC1CCCC/C=C\2
InChIInChI=1S/C15H20O4/c1-18-13(16)15(14(17)19-2)10-11-7-5-3-4-6-8-12(15)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3/b7-5-
InChIKeyKLIGEBNKOSHKJR-ALCCZGGFSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate?
The IUPAC name of dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate (CID 14903704) is dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate.
What is the SMILES notation for dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate?
The canonical SMILES for dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=CC1CCCC/C=C\2.
What is the InChIKey of dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate?
The InChIKey is KLIGEBNKOSHKJR-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-13(16)15(14(17)19-2)10-11-7-5-3-4-6-8-12(15)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3/b7-5-.
What are the key properties of dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate?
dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2Z)-bicyclo[6.2.1]undeca-1(11),2-diene-9,9-dicarboxylate is sourced from PubChem (CID 14903704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).