dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate

C15H18O4 — CID 556753

IUPACdimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2CC1C1CC=C(C)C21
InChIInChI=1S/C15H18O4/c1-7-4-5-8-9-6-10(11(7)8)13(15(17)19-3)12(9)14(16)18-2/h4,8-11H,5-6H2,1-3H3
InChIKeyXNWNJAFTSVXGMY-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.86
Rot. Bonds2

About dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate

dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate (PubChem CID 556753) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate
PubChem CID556753
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Namedimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2CC1C1CC=C(C)C21
InChIInChI=1S/C15H18O4/c1-7-4-5-8-9-6-10(11(7)8)13(15(17)19-3)12(9)14(16)18-2/h4,8-11H,5-6H2,1-3H3
InChIKeyXNWNJAFTSVXGMY-UHFFFAOYSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4,7-Methano-1H-indene-2,6-dicarboxylic acid, 3a,4,7,7a-tetrahydro-
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Dimethyl bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 304405
3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid
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CID 70678894
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CID 13855688
(2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one
CID 163011213
Dimethyl tricyclo[4.2.2.0~2,5~]deca-3,7,9-triene-7,8-dicarboxylate
CID 2850216
pentalenolactone E(1-)
CID 70679014
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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate?
The IUPAC name of dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate (CID 556753) is dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate?
The canonical SMILES for dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2CC1C1CC=C(C)C21.
What is the InChIKey of dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate?
The InChIKey is XNWNJAFTSVXGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-7-4-5-8-9-6-10(11(7)8)13(15(17)19-3)12(9)14(16)18-2/h4,8-11H,5-6H2,1-3H3.
What are the key properties of dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate?
dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate has a molecular weight of 262.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyltricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate is sourced from PubChem (CID 556753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).