(1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid

C15H24O3 — CID 46906381

IUPAC(1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid
SMILESC[C@@H]1CC[C@@H]2[C@]3(O)[C@H]1CC[C@@]3(C)C[C@@]2(C)C(=O)O
InChIInChI=1S/C15H24O3/c1-9-4-5-11-14(3,12(16)17)8-13(2)7-6-10(9)15(11,13)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,13+,14-,15-/m1/s1
InChIKeyHJIXPIWBGQEXMJ-AWOLGQDMSA-N
MW252.35 g/mol
LogP2.67
Rot. Bonds1

About (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid

(1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid (PubChem CID 46906381) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid
PubChem CID46906381
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid
SMILESC[C@@H]1CC[C@@H]2[C@]3(O)[C@H]1CC[C@@]3(C)C[C@@]2(C)C(=O)O
InChIInChI=1S/C15H24O3/c1-9-4-5-11-14(3,12(16)17)8-13(2)7-6-10(9)15(11,13)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,13+,14-,15-/m1/s1
InChIKeyHJIXPIWBGQEXMJ-AWOLGQDMSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid?
The IUPAC name of (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid (CID 46906381) is (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid?
The canonical SMILES for (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid is C[C@@H]1CC[C@@H]2[C@]3(O)[C@H]1CC[C@@]3(C)C[C@@]2(C)C(=O)O.
What is the InChIKey of (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid?
The InChIKey is HJIXPIWBGQEXMJ-AWOLGQDMSA-N. The full InChI is InChI=1S/C15H24O3/c1-9-4-5-11-14(3,12(16)17)8-13(2)7-6-10(9)15(11,13)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,13+,14-,15-/m1/s1.
What are the key properties of (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid?
(1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid has a molecular weight of 252.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,7S,8R,11R)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid is sourced from PubChem (CID 46906381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).