11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid

C15H22O4 — CID 75368792

IUPAC11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
SMILESCC1C(=O)CC2C3CCC(C(=O)O)C12CC3(C)CO
InChIInChI=1S/C15H22O4/c1-8-12(17)5-11-9-3-4-10(13(18)19)15(8,11)6-14(9,2)7-16/h8-11,16H,3-7H2,1-2H3,(H,18,19)
InChIKeyQIYQVTNAEPQSBX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.71
Rot. Bonds2

About 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid

11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid (PubChem CID 75368792) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
PubChem CID75368792
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
SMILESCC1C(=O)CC2C3CCC(C(=O)O)C12CC3(C)CO
InChIInChI=1S/C15H22O4/c1-8-12(17)5-11-9-3-4-10(13(18)19)15(8,11)6-14(9,2)7-16/h8-11,16H,3-7H2,1-2H3,(H,18,19)
InChIKeyQIYQVTNAEPQSBX-UHFFFAOYSA-N
XLogP1.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The IUPAC name of 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid (CID 75368792) is 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid.
What is the SMILES notation for 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The canonical SMILES for 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid is CC1C(=O)CC2C3CCC(C(=O)O)C12CC3(C)CO.
What is the InChIKey of 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The InChIKey is QIYQVTNAEPQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-8-12(17)5-11-9-3-4-10(13(18)19)15(8,11)6-14(9,2)7-16/h8-11,16H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid is sourced from PubChem (CID 75368792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).