(1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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 10972589

IUPAC(1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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]2C(C)(C)[C@H]1C(=O)C[C@@]1(C)C3=C(CC[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[C@@]32O
InChIInChI=1S/C26H40O5Si/c1-15-10-12-18-24(5,6)20(15)17(27)14-25(7)19(31-32(8,9)23(2,3)4)13-11-16-21(25)26(18,29)30-22(16)28/h10,18-20,29H,11-14H2,1-9H3/t18-,19+,20-,25-,26-/m1/s1
InChIKeyCRMHVSNARAVYKH-OAHQXQCPSA-N
MW460.69 g/mol
LogP5.30
Rot. Bonds2

About (1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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 10972589) has the molecular formula C26H40O5Si and a molecular weight of 460.69 g/mol. Its IUPAC name is (1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione
PubChem CID10972589
Molecular FormulaC26H40O5Si
Molecular Weight460.69 g/mol
Exact Mass460.26
IUPAC Name(1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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]2C(C)(C)[C@H]1C(=O)C[C@@]1(C)C3=C(CC[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[C@@]32O
InChIInChI=1S/C26H40O5Si/c1-15-10-12-18-24(5,6)20(15)17(27)14-25(7)19(31-32(8,9)23(2,3)4)13-11-16-21(25)26(18,29)30-22(16)28/h10,18-20,29H,11-14H2,1-9H3/t18-,19+,20-,25-,26-/m1/s1
InChIKeyCRMHVSNARAVYKH-OAHQXQCPSA-N
XLogP5.30
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 ≤ 55.30
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,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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

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

Launch Full Analysis

Related Compounds

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-dihydroxy-10-methyl-7-[(3S)-3-triethylsilyloxybutyl]-8,12-dioxatricyclo[7.4.0.02,6]trideca-1(9),5,10-trien-13-one
CID 134844153
(1R,2R,3R,7S,10S)-10-hydroxy-1-methyl-6-methylidene-2-(2-trimethylsilylethoxymethoxy)-4-oxatricyclo[8.3.1.03,7]tetradec-11-en-5-one
CID 15276058
methyl (1R,3S,7S,8S,11S)-7-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-2,10-dioxotricyclo[9.3.1.03,8]pentadeca-4,12-diene-4-carboxylate
CID 10928859
(1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione
CID 11026648
(1S,8R,11R,14S,15S)-15-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxooct-6-enyl]-11-hydroxy-8-(hydroxymethyl)-14-[(E)-oct-6-enyl]-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-diene-3,5-dione
CID 11061259
(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
(1R,3R,7S,8S,10R,11S)-7-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-8,12,15,15-tetramethyl-2-oxotricyclo[9.3.1.03,8]pentadeca-4,12-diene-4-carboxylic acid
CID 11145020
[(1R,2R,3S,5S,8S,10S)-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-triethylsilyloxy-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
CID 24741783
ethyl 2-[(1R,4S,8S,9R,12R)-9-hydroxy-4,8-dimethyl-3-oxo-10-(triethylsilyloxymethyl)-2-oxatricyclo[6.3.1.04,12]dodec-10-en-9-yl]acetate
CID 44477466

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.12,6.013,16]heptadeca-4,13(16)-diene-7,14-dione (CID 10972589) is (1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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]2C(C)(C)[C@H]1C(=O)C[C@@]1(C)C3=C(CC[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[C@@]32O.
What is the InChIKey of (1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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 CRMHVSNARAVYKH-OAHQXQCPSA-N. The full InChI is InChI=1S/C26H40O5Si/c1-15-10-12-18-24(5,6)20(15)17(27)14-25(7)19(31-32(8,9)23(2,3)4)13-11-16-21(25)26(18,29)30-22(16)28/h10,18-20,29H,11-14H2,1-9H3/t18-,19+,20-,25-,26-/m1/s1.
What are the key properties of (1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1-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 10972589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).