(1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid

C16H24O2 — CID 119057281

IUPAC(1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
SMILESC[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C
InChIInChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1
InChIKeyWWZTYXORWVAPSU-GTTSAUCSSA-N
MW248.37 g/mol
LogP4.01
Rot. Bonds1

About (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid

(1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid (PubChem CID 119057281) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid.

Molecular Properties

Compound Name(1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
PubChem CID119057281
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
SMILESC[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C
InChIInChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1
InChIKeyWWZTYXORWVAPSU-GTTSAUCSSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
The IUPAC name of (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid (CID 119057281) is (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid.
What is the SMILES notation for (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
The canonical SMILES for (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid is C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C.
What is the InChIKey of (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
The InChIKey is WWZTYXORWVAPSU-GTTSAUCSSA-N. The full InChI is InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1.
What are the key properties of (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid?
(1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid has a molecular weight of 248.37 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,10R)-7,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid is sourced from PubChem (CID 119057281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).