(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol

C30H52O4Si3 — CID 139616239

About (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol

(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol (PubChem CID 139616239) has the molecular formula C30H52O4Si3 and a molecular weight of 561.00 g/mol. Its IUPAC name is (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol.

Molecular Properties

• Compound Name: (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol
• PubChem CID: 139616239
• Molecular Formula: C30H52O4Si3
• Molecular Weight: 561.00 g/mol
• Exact Mass: 560.32
• IUPAC Name: (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol
• SMILES: C=CC1(C)C#CC2=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C)CC#CC1O
• InChI: InChI=1S/C30H52O4Si3/c1-16-29(8)21-19-23-22-24(32-36(12,13)27(2,3)4)26(33-37(14,15)28(5,6)7)30(23,34-35(9,10)11)20-17-18-25(29)31/h16,22,24-26,31H,1,20H2,2-15H3/t24-,25?,26+,29?,30?/m1/s1
• InChIKey: OWNTXTIAAQWULY-JTVGTWMTSA-N
• XLogP: 7.26
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.00
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol?

The IUPAC name of (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol (CID 139616239) is (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol.

What is the SMILES notation for (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol?

The canonical SMILES for (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol is C=CC1(C)C#CC2=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C)CC#CC1O.

What is the InChIKey of (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol?

The InChIKey is OWNTXTIAAQWULY-JTVGTWMTSA-N. The full InChI is InChI=1S/C30H52O4Si3/c1-16-29(8)21-19-23-22-24(32-36(12,13)27(2,3)4)26(33-37(14,15)28(5,6)7)30(23,34-35(9,10)11)20-17-18-25(29)31/h16,22,24-26,31H,1,20H2,2-15H3/t24-,25?,26+,29?,30?/m1/s1.

What are the key properties of (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol?

(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol has a molecular weight of 561.00 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethenyl-6-methyl-10a-trimethylsilyloxy-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol is sourced from PubChem (CID 139616239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).