(8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione

C26H48O6Si — CID 11038220

IUPAC(8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione
SMILESC=CC[C@@H](CC[C@](C)(O)C(=O)CCC(=O)CCC[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O6Si/c1-10-12-21(32-33(8,9)24(2,3)4)17-18-26(7,29)23(28)16-15-20(27)13-11-14-22-19-30-25(5,6)31-22/h10,21-22,29H,1,11-19H2,2-9H3/t21-,22-,26-/m0/s1
InChIKeyJIUMAQPYNPQNGS-MCEYFSPLSA-N
MW484.75 g/mol
LogP5.72
Rot. Bonds15

About (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione

(8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione (PubChem CID 11038220) has the molecular formula C26H48O6Si and a molecular weight of 484.75 g/mol. Its IUPAC name is (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione.

Molecular Properties

Compound Name(8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione
PubChem CID11038220
Molecular FormulaC26H48O6Si
Molecular Weight484.75 g/mol
Exact Mass484.32
IUPAC Name(8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione
SMILESC=CC[C@@H](CC[C@](C)(O)C(=O)CCC(=O)CCC[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O6Si/c1-10-12-21(32-33(8,9)24(2,3)4)17-18-26(7,29)23(28)16-15-20(27)13-11-14-22-19-30-25(5,6)31-22/h10,21-22,29H,1,11-19H2,2-9H3/t21-,22-,26-/m0/s1
InChIKeyJIUMAQPYNPQNGS-MCEYFSPLSA-N
XLogP5.72
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione?
The IUPAC name of (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione (CID 11038220) is (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione.
What is the SMILES notation for (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione?
The canonical SMILES for (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione is C=CC[C@@H](CC[C@](C)(O)C(=O)CCC(=O)CCC[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione?
The InChIKey is JIUMAQPYNPQNGS-MCEYFSPLSA-N. The full InChI is InChI=1S/C26H48O6Si/c1-10-12-21(32-33(8,9)24(2,3)4)17-18-26(7,29)23(28)16-15-20(27)13-11-14-22-19-30-25(5,6)31-22/h10,21-22,29H,1,11-19H2,2-9H3/t21-,22-,26-/m0/s1.
What are the key properties of (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione?
(8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione has a molecular weight of 484.75 g/mol, XLogP of 5.72, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione is sourced from PubChem (CID 11038220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).