(1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione

C15H22O2 — CID 10537672

IUPAC(1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione
SMILESC[C@H]1C(=O)C[C@@]2(C)CC(=O)[C@@H]3C(C)(C)CC[C@]312
InChIInChI=1S/C15H22O2/c1-9-10(16)7-14(4)8-11(17)12-13(2,3)5-6-15(9,12)14/h9,12H,5-8H2,1-4H3/t9-,12+,14-,15+/m0/s1
InChIKeyKWFOSDWZJVVCMS-VFGSGVCASA-N
MW234.34 g/mol
LogP3.00
Rot. Bonds

About (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione

(1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione (PubChem CID 10537672) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione.

Molecular Properties

Compound Name(1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione
PubChem CID10537672
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione
SMILESC[C@H]1C(=O)C[C@@]2(C)CC(=O)[C@@H]3C(C)(C)CC[C@]312
InChIInChI=1S/C15H22O2/c1-9-10(16)7-14(4)8-11(17)12-13(2,3)5-6-15(9,12)14/h9,12H,5-8H2,1-4H3/t9-,12+,14-,15+/m0/s1
InChIKeyKWFOSDWZJVVCMS-VFGSGVCASA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione?
The IUPAC name of (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione (CID 10537672) is (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione.
What is the SMILES notation for (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione?
The canonical SMILES for (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione is C[C@H]1C(=O)C[C@@]2(C)CC(=O)[C@@H]3C(C)(C)CC[C@]312.
What is the InChIKey of (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione?
The InChIKey is KWFOSDWZJVVCMS-VFGSGVCASA-N. The full InChI is InChI=1S/C15H22O2/c1-9-10(16)7-14(4)8-11(17)12-13(2,3)5-6-15(9,12)14/h9,12H,5-8H2,1-4H3/t9-,12+,14-,15+/m0/s1.
What are the key properties of (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione?
(1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione has a molecular weight of 234.34 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,8R)-2,5,9,9-tetramethyltricyclo[6.3.0.01,5]undecane-3,7-dione is sourced from PubChem (CID 10537672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).