tricyclo[4.3.1.13,8]undecane-1-carboxylic acid

C12H18O2 — CID 541956

IUPACtricyclo[4.3.1.13,8]undecane-1-carboxylic acid
SMILESO=C(O)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C12H18O2/c13-11(14)12-5-8-1-2-9(6-12)4-10(3-8)7-12/h8-10H,1-7H2,(H,13,14)
InChIKeySTNYGMDZVYBFLR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.68
Rot. Bonds1

About tricyclo[4.3.1.13,8]undecane-1-carboxylic acid

tricyclo[4.3.1.13,8]undecane-1-carboxylic acid (PubChem CID 541956) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is tricyclo[4.3.1.13,8]undecane-1-carboxylic acid.

Molecular Properties

Compound Nametricyclo[4.3.1.13,8]undecane-1-carboxylic acid
PubChem CID541956
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nametricyclo[4.3.1.13,8]undecane-1-carboxylic acid
SMILESO=C(O)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C12H18O2/c13-11(14)12-5-8-1-2-9(6-12)4-10(3-8)7-12/h8-10H,1-7H2,(H,13,14)
InChIKeySTNYGMDZVYBFLR-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.1.13,8]undecane-1-carboxylic acid?
The IUPAC name of tricyclo[4.3.1.13,8]undecane-1-carboxylic acid (CID 541956) is tricyclo[4.3.1.13,8]undecane-1-carboxylic acid.
What is the SMILES notation for tricyclo[4.3.1.13,8]undecane-1-carboxylic acid?
The canonical SMILES for tricyclo[4.3.1.13,8]undecane-1-carboxylic acid is O=C(O)C12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of tricyclo[4.3.1.13,8]undecane-1-carboxylic acid?
The InChIKey is STNYGMDZVYBFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-11(14)12-5-8-1-2-9(6-12)4-10(3-8)7-12/h8-10H,1-7H2,(H,13,14).
What are the key properties of tricyclo[4.3.1.13,8]undecane-1-carboxylic acid?
tricyclo[4.3.1.13,8]undecane-1-carboxylic acid has a molecular weight of 194.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.1.13,8]undecane-1-carboxylic acid is sourced from PubChem (CID 541956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).