(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione

C18H36O4Si — CID 11152128

IUPAC(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H](O)CC(=O)CC(C)=O
InChIInChI=1S/C18H36O4Si/c1-8-23(9-2,10-3)22-18(13(4)5)15(7)17(21)12-16(20)11-14(6)19/h13,15,17-18,21H,8-12H2,1-7H3/t15-,17+,18+/m0/s1
InChIKeyJMPUOVDGZZGQAV-CGTJXYLNSA-N
MW344.57 g/mol
LogP3.97
Rot. Bonds12

About (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione

(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione (PubChem CID 11152128) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione.

Molecular Properties

Compound Name(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione
PubChem CID11152128
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H](O)CC(=O)CC(C)=O
InChIInChI=1S/C18H36O4Si/c1-8-23(9-2,10-3)22-18(13(4)5)15(7)17(21)12-16(20)11-14(6)19/h13,15,17-18,21H,8-12H2,1-7H3/t15-,17+,18+/m0/s1
InChIKeyJMPUOVDGZZGQAV-CGTJXYLNSA-N
XLogP3.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione?
The IUPAC name of (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione (CID 11152128) is (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione.
What is the SMILES notation for (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione?
The canonical SMILES for (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione is CC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H](O)CC(=O)CC(C)=O.
What is the InChIKey of (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione?
The InChIKey is JMPUOVDGZZGQAV-CGTJXYLNSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-8-23(9-2,10-3)22-18(13(4)5)15(7)17(21)12-16(20)11-14(6)19/h13,15,17-18,21H,8-12H2,1-7H3/t15-,17+,18+/m0/s1.
What are the key properties of (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione?
(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione has a molecular weight of 344.57 g/mol, XLogP of 3.97, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione is sourced from PubChem (CID 11152128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).