(4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione

C21H42O4Si — CID 89280224

IUPAC(4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione
SMILESCC(=O)C[C@H](C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C21H42O4Si/c1-14(13-22)18(25-26(10,11)20(5,6)7)17(4)19(24)21(8,9)15(2)12-16(3)23/h14-15,17-18,22H,12-13H2,1-11H3/t14-,15-,17+,18-/m0/s1
InChIKeyZEZKMPNLRFZPHX-ONIAQPFYSA-N
MW386.65 g/mol
LogP4.85
Rot. Bonds10

About (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione

(4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione (PubChem CID 89280224) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione.

Molecular Properties

Compound Name(4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione
PubChem CID89280224
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name(4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione
SMILESCC(=O)C[C@H](C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C21H42O4Si/c1-14(13-22)18(25-26(10,11)20(5,6)7)17(4)19(24)21(8,9)15(2)12-16(3)23/h14-15,17-18,22H,12-13H2,1-11H3/t14-,15-,17+,18-/m0/s1
InChIKeyZEZKMPNLRFZPHX-ONIAQPFYSA-N
XLogP4.85
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione?
The IUPAC name of (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione (CID 89280224) is (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione.
What is the SMILES notation for (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione?
The canonical SMILES for (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione is CC(=O)C[C@H](C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione?
The InChIKey is ZEZKMPNLRFZPHX-ONIAQPFYSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-14(13-22)18(25-26(10,11)20(5,6)7)17(4)19(24)21(8,9)15(2)12-16(3)23/h14-15,17-18,22H,12-13H2,1-11H3/t14-,15-,17+,18-/m0/s1.
What are the key properties of (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione?
(4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione has a molecular weight of 386.65 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-4,5,5,7,9-pentamethyldecane-2,6-dione is sourced from PubChem (CID 89280224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).