(1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione

C20H30O7Si — CID 53344067

IUPAC(1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@]23CC(=O)O[C@]2(CCC3=O)[C@]2(C)COC(=O)[C@]12O
InChIInChI=1S/C20H30O7Si/c1-5-28(6-2,7-3)27-14-10-18-11-15(22)26-19(18,9-8-13(18)21)17(4)12-25-16(23)20(14,17)24/h14,24H,5-12H2,1-4H3/t14-,17+,18-,19-,20-/m1/s1
InChIKeyUUUDFKXYGNUEPH-PBOLBBRVSA-N
MW410.54 g/mol
LogP2.11
Rot. Bonds5

About (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione

(1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione (PubChem CID 53344067) has the molecular formula C20H30O7Si and a molecular weight of 410.54 g/mol. Its IUPAC name is (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione.

Molecular Properties

Compound Name(1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione
PubChem CID53344067
Molecular FormulaC20H30O7Si
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name(1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@]23CC(=O)O[C@]2(CCC3=O)[C@]2(C)COC(=O)[C@]12O
InChIInChI=1S/C20H30O7Si/c1-5-28(6-2,7-3)27-14-10-18-11-15(22)26-19(18,9-8-13(18)21)17(4)12-25-16(23)20(14,17)24/h14,24H,5-12H2,1-4H3/t14-,17+,18-,19-,20-/m1/s1
InChIKeyUUUDFKXYGNUEPH-PBOLBBRVSA-N
XLogP2.11
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione?
The IUPAC name of (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione (CID 53344067) is (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione.
What is the SMILES notation for (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione?
The canonical SMILES for (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione is CC[Si](CC)(CC)O[C@@H]1C[C@]23CC(=O)O[C@]2(CCC3=O)[C@]2(C)COC(=O)[C@]12O.
What is the InChIKey of (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione?
The InChIKey is UUUDFKXYGNUEPH-PBOLBBRVSA-N. The full InChI is InChI=1S/C20H30O7Si/c1-5-28(6-2,7-3)27-14-10-18-11-15(22)26-19(18,9-8-13(18)21)17(4)12-25-16(23)20(14,17)24/h14,24H,5-12H2,1-4H3/t14-,17+,18-,19-,20-/m1/s1.
What are the key properties of (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione?
(1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione has a molecular weight of 410.54 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7R,9S)-6-hydroxy-2-methyl-7-triethylsilyloxy-4,12-dioxatetracyclo[7.3.3.01,9.02,6]pentadecane-5,11,15-trione is sourced from PubChem (CID 53344067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).