(1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

C15H22O2 — CID 100996461

IUPAC(1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESC[C@@H]1[C@H](O)C[C@H]2C(C)(C)C[C@]3(C)C(=O)C=C[C@]123
InChIInChI=1S/C15H22O2/c1-9-10(16)7-11-13(2,3)8-14(4)12(17)5-6-15(9,11)14/h5-6,9-11,16H,7-8H2,1-4H3/t9-,10-,11+,14-,15+/m1/s1
InChIKeyLOVJMLMJWOZEKM-ZNLHFFCSSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds

About (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one

(1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (PubChem CID 100996461) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.

Molecular Properties

Compound Name(1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
PubChem CID100996461
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
SMILESC[C@@H]1[C@H](O)C[C@H]2C(C)(C)C[C@]3(C)C(=O)C=C[C@]123
InChIInChI=1S/C15H22O2/c1-9-10(16)7-11-13(2,3)8-14(4)12(17)5-6-15(9,11)14/h5-6,9-11,16H,7-8H2,1-4H3/t9-,10-,11+,14-,15+/m1/s1
InChIKeyLOVJMLMJWOZEKM-ZNLHFFCSSA-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 (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The IUPAC name of (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one (CID 100996461) is (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one.
What is the SMILES notation for (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The canonical SMILES for (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is C[C@@H]1[C@H](O)C[C@H]2C(C)(C)C[C@]3(C)C(=O)C=C[C@]123.
What is the InChIKey of (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
The InChIKey is LOVJMLMJWOZEKM-ZNLHFFCSSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-10(16)7-11-13(2,3)8-14(4)12(17)5-6-15(9,11)14/h5-6,9-11,16H,7-8H2,1-4H3/t9-,10-,11+,14-,15+/m1/s1.
What are the key properties of (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one?
(1R,5S,8S,10R,11S)-10-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 (1R,5S,8S,10R,11S)-10-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one is sourced from PubChem (CID 100996461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).