8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid

C15H22O3 — CID 128963627

IUPAC8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
SMILESCC1CCC2C(C(=O)O)=CC3(O)CC(C)(C)CC123
InChIInChI=1S/C15H22O3/c1-9-4-5-11-10(12(16)17)6-14(18)7-13(2,3)8-15(9,11)14/h6,9,11,18H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyHVBQZYOWNDKXFI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds1

About 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid

8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid (PubChem CID 128963627) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
PubChem CID128963627
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
SMILESCC1CCC2C(C(=O)O)=CC3(O)CC(C)(C)CC123
InChIInChI=1S/C15H22O3/c1-9-4-5-11-10(12(16)17)6-14(18)7-13(2,3)8-15(9,11)14/h6,9,11,18H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyHVBQZYOWNDKXFI-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 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The IUPAC name of 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid (CID 128963627) is 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid.
What is the SMILES notation for 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The canonical SMILES for 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is CC1CCC2C(C(=O)O)=CC3(O)CC(C)(C)CC123.
What is the InChIKey of 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The InChIKey is HVBQZYOWNDKXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-4-5-11-10(12(16)17)6-14(18)7-13(2,3)8-15(9,11)14/h6,9,11,18H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-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 8-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is sourced from PubChem (CID 128963627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).