(4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one

C15H22O2 — CID 59050645

IUPAC(4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one
SMILESCC1=CCC2C[C@]3(O)[C@H](C)CC(=O)C13C2(C)C
InChIInChI=1S/C15H22O2/c1-9-5-6-11-8-14(17)10(2)7-12(16)15(9,14)13(11,3)4/h5,10-11,17H,6-8H2,1-4H3/t10-,11?,14+,15?/m1/s1
InChIKeyYYUPTSPIYQCSDX-XJZOAQGMSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds

About (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one

(4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one (PubChem CID 59050645) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one.

Molecular Properties

Compound Name(4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one
PubChem CID59050645
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one
SMILESCC1=CCC2C[C@]3(O)[C@H](C)CC(=O)C13C2(C)C
InChIInChI=1S/C15H22O2/c1-9-5-6-11-8-14(17)10(2)7-12(16)15(9,14)13(11,3)4/h5,10-11,17H,6-8H2,1-4H3/t10-,11?,14+,15?/m1/s1
InChIKeyYYUPTSPIYQCSDX-XJZOAQGMSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one?
The IUPAC name of (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one (CID 59050645) is (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one.
What is the SMILES notation for (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one?
The canonical SMILES for (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one is CC1=CCC2C[C@]3(O)[C@H](C)CC(=O)C13C2(C)C.
What is the InChIKey of (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one?
The InChIKey is YYUPTSPIYQCSDX-XJZOAQGMSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-5-6-11-8-14(17)10(2)7-12(16)15(9,14)13(11,3)4/h5,10-11,17H,6-8H2,1-4H3/t10-,11?,14+,15?/m1/s1.
What are the key properties of (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one?
(4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-en-2-one is sourced from PubChem (CID 59050645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).