(5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

C15H22O2 — CID 11009895

IUPAC(5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESC[C@@H]1CCC2C(C)(C)[C@H](O)[C@]3(C)C(=O)C=CC213
InChIInChI=1S/C15H22O2/c1-9-5-6-10-13(2,3)12(17)14(4)11(16)7-8-15(9,10)14/h7-10,12,17H,5-6H2,1-4H3/t9-,10?,12+,14+,15?/m1/s1
InChIKeyRPAMEABXKIBXSD-AVJLOEKESA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds

About (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

(5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (PubChem CID 11009895) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.

Molecular Properties

Compound Name(5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
PubChem CID11009895
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESC[C@@H]1CCC2C(C)(C)[C@H](O)[C@]3(C)C(=O)C=CC213
InChIInChI=1S/C15H22O2/c1-9-5-6-10-13(2,3)12(17)14(4)11(16)7-8-15(9,10)14/h7-10,12,17H,5-6H2,1-4H3/t9-,10?,12+,14+,15?/m1/s1
InChIKeyRPAMEABXKIBXSD-AVJLOEKESA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The IUPAC name of (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (CID 11009895) is (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.
What is the SMILES notation for (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The canonical SMILES for (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is C[C@@H]1CCC2C(C)(C)[C@H](O)[C@]3(C)C(=O)C=CC213.
What is the InChIKey of (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The InChIKey is RPAMEABXKIBXSD-AVJLOEKESA-N. The full InChI is InChI=1S/C15H22O2/c1-9-5-6-10-13(2,3)12(17)14(4)11(16)7-8-15(9,10)14/h7-10,12,17H,5-6H2,1-4H3/t9-,10?,12+,14+,15?/m1/s1.
What are the key properties of (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
(5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is sourced from PubChem (CID 11009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).