13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one

C37H60FNO6Si — CID 142652910

IUPAC13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one
SMILESC#CCC(C(=O)C(C)(C)C1CCOC(C)(C)O1)C(O)C(C)CCCC(C)=CCC(O[Si](C)(C)C(C)(C)C)C(F)=Cc1coc(C)n1
InChIInChI=1S/C37H60FNO6Si/c1-14-16-29(34(41)36(8,9)32-21-22-43-37(10,11)44-32)33(40)26(3)18-15-17-25(2)19-20-31(45-46(12,13)35(5,6)7)30(38)23-28-24-42-27(4)39-28/h1,19,23-24,26,29,31-33,40H,15-18,20-22H2,2-13H3
InChIKeyHXITWSAATZYJTL-UHFFFAOYSA-N
MW661.97 g/mol
LogP8.96
Rot. Bonds16

About 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one

13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one (PubChem CID 142652910) has the molecular formula C37H60FNO6Si and a molecular weight of 661.97 g/mol. Its IUPAC name is 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one.

Molecular Properties

Compound Name13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one
PubChem CID142652910
Molecular FormulaC37H60FNO6Si
Molecular Weight661.97 g/mol
Exact Mass661.42
IUPAC Name13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one
SMILESC#CCC(C(=O)C(C)(C)C1CCOC(C)(C)O1)C(O)C(C)CCCC(C)=CCC(O[Si](C)(C)C(C)(C)C)C(F)=Cc1coc(C)n1
InChIInChI=1S/C37H60FNO6Si/c1-14-16-29(34(41)36(8,9)32-21-22-43-37(10,11)44-32)33(40)26(3)18-15-17-25(2)19-20-31(45-46(12,13)35(5,6)7)30(38)23-28-24-42-27(4)39-28/h1,19,23-24,26,29,31-33,40H,15-18,20-22H2,2-13H3
InChIKeyHXITWSAATZYJTL-UHFFFAOYSA-N
XLogP8.96
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.97
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one 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 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one?
The IUPAC name of 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one (CID 142652910) is 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one.
What is the SMILES notation for 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one?
The canonical SMILES for 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one is C#CCC(C(=O)C(C)(C)C1CCOC(C)(C)O1)C(O)C(C)CCCC(C)=CCC(O[Si](C)(C)C(C)(C)C)C(F)=Cc1coc(C)n1.
What is the InChIKey of 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one?
The InChIKey is HXITWSAATZYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60FNO6Si/c1-14-16-29(34(41)36(8,9)32-21-22-43-37(10,11)44-32)33(40)26(3)18-15-17-25(2)19-20-31(45-46(12,13)35(5,6)7)30(38)23-28-24-42-27(4)39-28/h1,19,23-24,26,29,31-33,40H,15-18,20-22H2,2-13H3.
What are the key properties of 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one?
13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one has a molecular weight of 661.97 g/mol, XLogP of 8.96, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-14-fluoro-5-hydroxy-2,6,10-trimethyl-15-(2-methyl-1,3-oxazol-4-yl)-4-prop-2-ynylpentadeca-10,14-dien-3-one is sourced from PubChem (CID 142652910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).