dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate

C15H20O4 — CID 13427520

IUPACdimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate
SMILESC=C1CC2(C(=O)OC)C3CCC(C3)C2(C(=O)OC)C1
InChIInChI=1S/C15H20O4/c1-9-7-14(12(16)18-2)10-4-5-11(6-10)15(14,8-9)13(17)19-3/h10-11H,1,4-8H2,2-3H3
InChIKeyFNSQPFSOCNVGQR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.09
Rot. Bonds2

About dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate

dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate (PubChem CID 13427520) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate
PubChem CID13427520
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namedimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate
SMILESC=C1CC2(C(=O)OC)C3CCC(C3)C2(C(=O)OC)C1
InChIInChI=1S/C15H20O4/c1-9-7-14(12(16)18-2)10-4-5-11(6-10)15(14,8-9)13(17)19-3/h10-11H,1,4-8H2,2-3H3
InChIKeyFNSQPFSOCNVGQR-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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 dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate (CID 13427520) is dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate is C=C1CC2(C(=O)OC)C3CCC(C3)C2(C(=O)OC)C1.
What is the InChIKey of dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
The InChIKey is FNSQPFSOCNVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-7-14(12(16)18-2)10-4-5-11(6-10)15(14,8-9)13(17)19-3/h10-11H,1,4-8H2,2-3H3.
What are the key properties of dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate is sourced from PubChem (CID 13427520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).