methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate

C13H20O2 — CID 134204201

IUPACmethyl tricyclo[5.3.1.04,9]undecane-1-carboxylate
SMILESCOC(=O)C12CCC3CCC(CC3C1)C2
InChIInChI=1S/C13H20O2/c1-15-12(14)13-5-4-10-3-2-9(7-13)6-11(10)8-13/h9-11H,2-8H2,1H3
InChIKeyGLQPJOYXGBDJTD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.77
Rot. Bonds1

About methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate

methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate (PubChem CID 134204201) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate.

Molecular Properties

Compound Namemethyl tricyclo[5.3.1.04,9]undecane-1-carboxylate
PubChem CID134204201
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl tricyclo[5.3.1.04,9]undecane-1-carboxylate
SMILESCOC(=O)C12CCC3CCC(CC3C1)C2
InChIInChI=1S/C13H20O2/c1-15-12(14)13-5-4-10-3-2-9(7-13)6-11(10)8-13/h9-11H,2-8H2,1H3
InChIKeyGLQPJOYXGBDJTD-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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Related Compounds

methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
2,2-difluoro-4-methyl-3-(tricyclo[5.3.1.04,9]undecane-1-carbonyloxy)pentanoic acid
CID 134285372
methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
CID 123912108
(1S,5R)-3-methoxycarbonylbicyclo[3.2.1]octane-3-carboxylic acid
CID 165478572
methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate
CID 64623842
2-bicyclo[2.2.1]heptanyl adamantane-1-carboxylate
CID 150221469
methyl 4-[[1-(aminomethyl)cyclopropyl]carbamoyl]adamantane-1-carboxylate
CID 140681276
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
methyl (5R,7R)-3-aminoadamantane-1-carboxylate
CID 23309146
[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate
CID 140562342
dimethyl bicyclo[2.1.1]hexane-1,3-dicarboxylate
CID 170031448
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244

Frequently Asked Questions

What is the IUPAC name of methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate?
The IUPAC name of methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate (CID 134204201) is methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate.
What is the SMILES notation for methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate?
The canonical SMILES for methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate is COC(=O)C12CCC3CCC(CC3C1)C2.
What is the InChIKey of methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate?
The InChIKey is GLQPJOYXGBDJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-12(14)13-5-4-10-3-2-9(7-13)6-11(10)8-13/h9-11H,2-8H2,1H3.
What are the key properties of methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate?
methyl tricyclo[5.3.1.04,9]undecane-1-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[5.3.1.04,9]undecane-1-carboxylate is sourced from PubChem (CID 134204201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).