methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate

C11H16O2 — CID 20661442

IUPACmethyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate
SMILESCOC(=O)C1(C)C2CC3C(C2C)C31
InChIInChI=1S/C11H16O2/c1-5-7-4-6-8(5)9(6)11(7,2)10(12)13-3/h5-9H,4H2,1-3H3
InChIKeyFDFQNLUHVKZRIQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.70
Rot. Bonds1

About methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate

methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate (PubChem CID 20661442) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate
PubChem CID20661442
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate
SMILESCOC(=O)C1(C)C2CC3C(C2C)C31
InChIInChI=1S/C11H16O2/c1-5-7-4-6-8(5)9(6)11(7,2)10(12)13-3/h5-9H,4H2,1-3H3
InChIKeyFDFQNLUHVKZRIQ-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate?
The IUPAC name of methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate (CID 20661442) is methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate.
What is the SMILES notation for methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate?
The canonical SMILES for methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate is COC(=O)C1(C)C2CC3C(C2C)C31.
What is the InChIKey of methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate?
The InChIKey is FDFQNLUHVKZRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-7-4-6-8(5)9(6)11(7,2)10(12)13-3/h5-9H,4H2,1-3H3.
What are the key properties of methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate?
methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate has a molecular weight of 180.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylate is sourced from PubChem (CID 20661442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).