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

C15H22O2 — CID 45359512

IUPAC2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
SMILESCC1CCC2C(C(=O)O)=CC3CC(C)(C)CC132
InChIInChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyDCFDRCCHOOORSB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds1

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

2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid (PubChem CID 45359512) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid.

Molecular Properties

Compound Name2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
PubChem CID45359512
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
SMILESCC1CCC2C(C(=O)O)=CC3CC(C)(C)CC132
InChIInChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyDCFDRCCHOOORSB-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The IUPAC name of 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid (CID 45359512) is 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid.
What is the SMILES notation for 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The canonical SMILES for 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is CC1CCC2C(C(=O)O)=CC3CC(C)(C)CC132.
What is the InChIKey of 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The InChIKey is DCFDRCCHOOORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid has a molecular weight of 234.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is sourced from PubChem (CID 45359512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).