(2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione

C24H36O5Si — CID 11091332

IUPAC(2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione
SMILESCC1=C[C@@H](O)[C@H]2CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]4OC(=O)[C@@H](C)[C@@H]4C3[C@@]2(C)C1=O
InChIInChI=1S/C24H36O5Si/c1-12-9-16(25)15-11-17(29-30(7,8)23(3,4)5)14-10-18-19(13(2)22(27)28-18)20(14)24(15,6)21(12)26/h9,13,15-16,18-20,25H,10-11H2,1-8H3/t13-,15+,16+,18-,19-,20?,24-/m0/s1
InChIKeyUEOTVFKWAHHMTO-FRVCOCLPSA-N
MW432.63 g/mol
LogP4.38
Rot. Bonds2

About (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione

(2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione (PubChem CID 11091332) has the molecular formula C24H36O5Si and a molecular weight of 432.63 g/mol. Its IUPAC name is (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione.

Molecular Properties

Compound Name(2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione
PubChem CID11091332
Molecular FormulaC24H36O5Si
Molecular Weight432.63 g/mol
Exact Mass432.23
IUPAC Name(2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione
SMILESCC1=C[C@@H](O)[C@H]2CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]4OC(=O)[C@@H](C)[C@@H]4C3[C@@]2(C)C1=O
InChIInChI=1S/C24H36O5Si/c1-12-9-16(25)15-11-17(29-30(7,8)23(3,4)5)14-10-18-19(13(2)22(27)28-18)20(14)24(15,6)21(12)26/h9,13,15-16,18-20,25H,10-11H2,1-8H3/t13-,15+,16+,18-,19-,20?,24-/m0/s1
InChIKeyUEOTVFKWAHHMTO-FRVCOCLPSA-N
XLogP4.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione?
The IUPAC name of (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione (CID 11091332) is (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione.
What is the SMILES notation for (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione?
The canonical SMILES for (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione is CC1=C[C@@H](O)[C@H]2CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]4OC(=O)[C@@H](C)[C@@H]4C3[C@@]2(C)C1=O.
What is the InChIKey of (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione?
The InChIKey is UEOTVFKWAHHMTO-FRVCOCLPSA-N. The full InChI is InChI=1S/C24H36O5Si/c1-12-9-16(25)15-11-17(29-30(7,8)23(3,4)5)14-10-18-19(13(2)22(27)28-18)20(14)24(15,6)21(12)26/h9,13,15-16,18-20,25H,10-11H2,1-8H3/t13-,15+,16+,18-,19-,20?,24-/m0/s1.
What are the key properties of (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione?
(2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione has a molecular weight of 432.63 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7S,12S,15S,16S)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,4,15-trimethyl-13-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-3,14-dione is sourced from PubChem (CID 11091332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).