(4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one

C17H28O4Si — CID 132553834

IUPAC(4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C)C=C2C(=O)O[C@@H]3CC[C@H]1[C@]23O
InChIInChI=1S/C17H28O4Si/c1-5-22(6-2,7-3)21-15-11(4)10-13-16(18)20-14-9-8-12(15)17(13,14)19/h10-12,14-15,19H,5-9H2,1-4H3/t11-,12-,14-,15+,17+/m1/s1
InChIKeyOIAVRQVYDPNNPT-BOGLJMFRSA-N
MW324.49 g/mol
LogP3.02
Rot. Bonds5

About (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one

(4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one (PubChem CID 132553834) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one.

Molecular Properties

Compound Name(4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
PubChem CID132553834
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name(4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C)C=C2C(=O)O[C@@H]3CC[C@H]1[C@]23O
InChIInChI=1S/C17H28O4Si/c1-5-22(6-2,7-3)21-15-11(4)10-13-16(18)20-14-9-8-12(15)17(13,14)19/h10-12,14-15,19H,5-9H2,1-4H3/t11-,12-,14-,15+,17+/m1/s1
InChIKeyOIAVRQVYDPNNPT-BOGLJMFRSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The IUPAC name of (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one (CID 132553834) is (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one.
What is the SMILES notation for (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The canonical SMILES for (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one is CC[Si](CC)(CC)O[C@H]1[C@H](C)C=C2C(=O)O[C@@H]3CC[C@H]1[C@]23O.
What is the InChIKey of (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
The InChIKey is OIAVRQVYDPNNPT-BOGLJMFRSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-5-22(6-2,7-3)21-15-11(4)10-13-16(18)20-14-9-8-12(15)17(13,14)19/h10-12,14-15,19H,5-9H2,1-4H3/t11-,12-,14-,15+,17+/m1/s1.
What are the key properties of (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one?
(4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one has a molecular weight of 324.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R,8S,9R,11S)-11-hydroxy-9-methyl-8-triethylsilyloxy-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one is sourced from PubChem (CID 132553834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).