methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate

C13H20O2 — CID 511460

IUPACmethyl tricyclo[5.3.1.03,8]undecane-3-carboxylate
SMILESCOC(=O)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C13H20O2/c1-15-12(14)13-6-2-3-10-7-9(8-13)4-5-11(10)13/h9-11H,2-8H2,1H3
InChIKeyPZUXQZVHSVGJTF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.77
Rot. Bonds1

About methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate

methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate (PubChem CID 511460) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl tricyclo[5.3.1.03,8]undecane-3-carboxylate
PubChem CID511460
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl tricyclo[5.3.1.03,8]undecane-3-carboxylate
SMILESCOC(=O)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C13H20O2/c1-15-12(14)13-6-2-3-10-7-9(8-13)4-5-11(10)13/h9-11H,2-8H2,1H3
InChIKeyPZUXQZVHSVGJTF-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate?
The IUPAC name of methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate (CID 511460) is methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate.
What is the SMILES notation for methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate?
The canonical SMILES for methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate is COC(=O)C12CCCC3CC(CCC31)C2.
What is the InChIKey of methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate?
The InChIKey is PZUXQZVHSVGJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-12(14)13-6-2-3-10-7-9(8-13)4-5-11(10)13/h9-11H,2-8H2,1H3.
What are the key properties of methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate?
methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tricyclo[5.3.1.03,8]undecane-3-carboxylate is sourced from PubChem (CID 511460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).