3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid

C15H22O3 — CID 162843065

IUPAC3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
SMILESCC1CCC2CC3=C(C(=O)O)C(O)CC31C2(C)C
InChIInChI=1S/C15H22O3/c1-8-4-5-9-6-10-12(13(17)18)11(16)7-15(8,10)14(9,2)3/h8-9,11,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyOYBOOQVHULBBQW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds1

About 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid

3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid (PubChem CID 162843065) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
PubChem CID162843065
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
SMILESCC1CCC2CC3=C(C(=O)O)C(O)CC31C2(C)C
InChIInChI=1S/C15H22O3/c1-8-4-5-9-6-10-12(13(17)18)11(16)7-15(8,10)14(9,2)3/h8-9,11,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyOYBOOQVHULBBQW-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
The IUPAC name of 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid (CID 162843065) is 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid is CC1CCC2CC3=C(C(=O)O)C(O)CC31C2(C)C.
What is the InChIKey of 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
The InChIKey is OYBOOQVHULBBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-8-4-5-9-6-10-12(13(17)18)11(16)7-15(8,10)14(9,2)3/h8-9,11,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid is sourced from PubChem (CID 162843065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).