(2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione

C15H20O3 — CID 134965113

IUPAC(2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
SMILESCC1=C(O)C(=O)C23C(=O)C1C(C)(C)C2CCC3C
InChIInChI=1S/C15H20O3/c1-7-5-6-9-14(3,4)10-8(2)11(16)13(18)15(7,9)12(10)17/h7,9-10,16H,5-6H2,1-4H3
InChIKeyJSYQPAIDLVPBDA-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.66
Rot. Bonds

About (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione

(2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione (PubChem CID 134965113) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione.

Molecular Properties

Compound Name(2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
PubChem CID134965113
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
SMILESCC1=C(O)C(=O)C23C(=O)C1C(C)(C)C2CCC3C
InChIInChI=1S/C15H20O3/c1-7-5-6-9-14(3,4)10-8(2)11(16)13(18)15(7,9)12(10)17/h7,9-10,16H,5-6H2,1-4H3
InChIKeyJSYQPAIDLVPBDA-UHFFFAOYSA-N
XLogP2.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Lalibinone C
CID 135511990
Lalibinone D
CID 135511991
(1S,3S,5S,7S)-8-hydroxy-4,4,7-trimethyl-9-(2-methylpropanoyl)-3-prop-1-en-2-yltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
CID 10641192
(1R,2R,5S,7R)-9-Hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
CID 12314345
(1S,2R,5R,7S)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
CID 12314346
(5S,7S)-8-hydroxy-4,4,7-trimethyl-9-(2-methylpropanoyl)tricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
CID 44575202
Elisapterosin B
CID 401069
Ialibinone B
CID 135436327
lalibinone E
CID 136184174
(3R,5S,7S)-8-hydroxy-4,4,7-trimethyl-9-(2-methylpropanoyl)-3-prop-1-en-2-yltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
CID 403770
CID 10246917
CID 10246917
(1S,3R,5S,7S)-8-hydroxy-4,4,7-trimethyl-9-(2-methylpropanoyl)-3-prop-1-en-2-yltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione
CID 10521389

Frequently Asked Questions

What is the IUPAC name of (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione?
The IUPAC name of (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione (CID 134965113) is (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione.
What is the SMILES notation for (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione?
The canonical SMILES for (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione is CC1=C(O)C(=O)C23C(=O)C1C(C)(C)C2CCC3C.
What is the InChIKey of (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione?
The InChIKey is JSYQPAIDLVPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-7-5-6-9-14(3,4)10-8(2)11(16)13(18)15(7,9)12(10)17/h7,9-10,16H,5-6H2,1-4H3.
What are the key properties of (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione?
(2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione has a molecular weight of 248.32 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione is sourced from PubChem (CID 134965113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).