7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid

C15H22O4 — CID 75368793

IUPAC7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
SMILESCC1C(=O)CC2C3C(O)CC(C(=O)O)C12CC3(C)C
InChIInChI=1S/C15H22O4/c1-7-10(16)4-8-12-11(17)5-9(13(18)19)15(7,8)6-14(12,2)3/h7-9,11-12,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyMNWVNHAXLQLPLU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.71
Rot. Bonds1

About 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid

7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid (PubChem CID 75368793) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
PubChem CID75368793
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
SMILESCC1C(=O)CC2C3C(O)CC(C(=O)O)C12CC3(C)C
InChIInChI=1S/C15H22O4/c1-7-10(16)4-8-12-11(17)5-9(13(18)19)15(7,8)6-14(12,2)3/h7-9,11-12,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyMNWVNHAXLQLPLU-UHFFFAOYSA-N
XLogP1.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The IUPAC name of 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid (CID 75368793) is 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The canonical SMILES for 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid is CC1C(=O)CC2C3C(O)CC(C(=O)O)C12CC3(C)C.
What is the InChIKey of 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The InChIKey is MNWVNHAXLQLPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-7-10(16)4-8-12-11(17)5-9(13(18)19)15(7,8)6-14(12,2)3/h7-9,11-12,17H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,11,11-trimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid is sourced from PubChem (CID 75368793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).