(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione

C18H36O4Si — CID 11462076

IUPAC(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione
SMILESCC(=O)CC(=O)CC(O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-12(2)17(22-23(8,9)18(5,6)7)14(4)16(21)11-15(20)10-13(3)19/h12,14,16-17,21H,10-11H2,1-9H3/t14-,16?,17+/m0/s1
InChIKeyCZOWEPHTWAZSLM-DRXWIORDSA-N
MW344.57 g/mol
LogP3.97
Rot. Bonds9

About (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione

(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione (PubChem CID 11462076) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione.

Molecular Properties

Compound Name(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione
PubChem CID11462076
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione
SMILESCC(=O)CC(=O)CC(O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-12(2)17(22-23(8,9)18(5,6)7)14(4)16(21)11-15(20)10-13(3)19/h12,14,16-17,21H,10-11H2,1-9H3/t14-,16?,17+/m0/s1
InChIKeyCZOWEPHTWAZSLM-DRXWIORDSA-N
XLogP3.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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 (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione?
The IUPAC name of (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione (CID 11462076) is (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione.
What is the SMILES notation for (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione?
The canonical SMILES for (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione is CC(=O)CC(=O)CC(O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione?
The InChIKey is CZOWEPHTWAZSLM-DRXWIORDSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-12(2)17(22-23(8,9)18(5,6)7)14(4)16(21)11-15(20)10-13(3)19/h12,14,16-17,21H,10-11H2,1-9H3/t14-,16?,17+/m0/s1.
What are the key properties of (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione?
(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione has a molecular weight of 344.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione is sourced from PubChem (CID 11462076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).