(1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione

C26H40O5Si — CID 11113297

IUPAC(1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione
SMILESCC1=CC[C@H]2[C@H]3OC(=O)C4=C3[C@](C)(CC(=O)[C@]1(O)C2(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC4
InChIInChI=1S/C26H40O5Si/c1-15-10-12-17-21-20-16(22(28)30-21)11-13-19(31-32(8,9)23(2,3)4)25(20,7)14-18(27)26(15,29)24(17,5)6/h10,17,19,21,29H,11-14H2,1-9H3/t17-,19-,21+,25+,26-/m0/s1
InChIKeyZDAJSBMODAJNFP-CJYGQYOKSA-N
MW460.69 g/mol
LogP5.10
Rot. Bonds2

About (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione

(1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione (PubChem CID 11113297) has the molecular formula C26H40O5Si and a molecular weight of 460.69 g/mol. Its IUPAC name is (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione.

Molecular Properties

Compound Name(1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione
PubChem CID11113297
Molecular FormulaC26H40O5Si
Molecular Weight460.69 g/mol
Exact Mass460.26
IUPAC Name(1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione
SMILESCC1=CC[C@H]2[C@H]3OC(=O)C4=C3[C@](C)(CC(=O)[C@]1(O)C2(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC4
InChIInChI=1S/C26H40O5Si/c1-15-10-12-17-21-20-16(22(28)30-21)11-13-19(31-32(8,9)23(2,3)4)25(20,7)14-18(27)26(15,29)24(17,5)6/h10,17,19,21,29H,11-14H2,1-9H3/t17-,19-,21+,25+,26-/m0/s1
InChIKeyZDAJSBMODAJNFP-CJYGQYOKSA-N
XLogP5.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.69
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione?
The IUPAC name of (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione (CID 11113297) is (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione.
What is the SMILES notation for (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione?
The canonical SMILES for (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione is CC1=CC[C@H]2[C@H]3OC(=O)C4=C3[C@](C)(CC(=O)[C@]1(O)C2(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC4.
What is the InChIKey of (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione?
The InChIKey is ZDAJSBMODAJNFP-CJYGQYOKSA-N. The full InChI is InChI=1S/C26H40O5Si/c1-15-10-12-17-21-20-16(22(28)30-21)11-13-19(31-32(8,9)23(2,3)4)25(20,7)14-18(27)26(15,29)24(17,5)6/h10,17,19,21,29H,11-14H2,1-9H3/t17-,19-,21+,25+,26-/m0/s1.
What are the key properties of (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione?
(1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione has a molecular weight of 460.69 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione is sourced from PubChem (CID 11113297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).