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

C15H24O4 — CID 162981267

IUPAC(1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid
SMILESCC1(C)C[C@@]2(C(=O)O)CC[C@H]3[C@@H]2[C@H]1CC[C@]3(O)CO
InChIInChI=1S/C15H24O4/c1-13(2)7-14(12(17)18)5-3-10-11(14)9(13)4-6-15(10,19)8-16/h9-11,16,19H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11+,14+,15+/m1/s1
InChIKeyDFHURQMGOXKZSE-SHTIJGAHSA-N
MW268.35 g/mol
LogP1.65
Rot. Bonds2

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

(1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid (PubChem CID 162981267) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid.

Molecular Properties

Compound Name(1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid
PubChem CID162981267
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid
SMILESCC1(C)C[C@@]2(C(=O)O)CC[C@H]3[C@@H]2[C@H]1CC[C@]3(O)CO
InChIInChI=1S/C15H24O4/c1-13(2)7-14(12(17)18)5-3-10-11(14)9(13)4-6-15(10,19)8-16/h9-11,16,19H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11+,14+,15+/m1/s1
InChIKeyDFHURQMGOXKZSE-SHTIJGAHSA-N
XLogP1.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid?
The IUPAC name of (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid (CID 162981267) is (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid.
What is the SMILES notation for (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid?
The canonical SMILES for (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid is CC1(C)C[C@@]2(C(=O)O)CC[C@H]3[C@@H]2[C@H]1CC[C@]3(O)CO.
What is the InChIKey of (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid?
The InChIKey is DFHURQMGOXKZSE-SHTIJGAHSA-N. The full InChI is InChI=1S/C15H24O4/c1-13(2)7-14(12(17)18)5-3-10-11(14)9(13)4-6-15(10,19)8-16/h9-11,16,19H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11+,14+,15+/m1/s1.
What are the key properties of (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid?
(1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7S,8R,11S)-8-hydroxy-8-(hydroxymethyl)-2,2-dimethyltricyclo[5.3.1.04,11]undecane-4-carboxylic acid is sourced from PubChem (CID 162981267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).