[(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate

C41H76O5Si3 — CID 57083563

About [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate

[(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate (PubChem CID 57083563) has the molecular formula C41H76O5Si3 and a molecular weight of 733.31 g/mol. Its IUPAC name is [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate.

Molecular Properties

• Compound Name: [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate
• PubChem CID: 57083563
• Molecular Formula: C41H76O5Si3
• Molecular Weight: 733.31 g/mol
• Exact Mass: 732.50
• IUPAC Name: [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate
• SMILES: C=C1C(=CC=C2CCC[C@@]3(C)C2CC[C@@H]3[C@@H](C)COC(=O)C(C)(C)O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C41H76O5Si3/c1-29(28-43-37(42)40(9,10)46-47(12,13)14)34-23-24-35-31(20-19-25-41(34,35)11)21-22-32-26-33(44-48(15,16)38(3,4)5)27-36(30(32)2)45-49(17,18)39(6,7)8/h21-22,29,33-36H,2,19-20,23-28H2,1,3-18H3/t29-,33+,34+,35?,36-,41+/m0/s1
• InChIKey: JYGATMIIVKIILZ-XVPPZRKVSA-N
• XLogP: 12.00
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.31
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate?

The IUPAC name of [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate (CID 57083563) is [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate.

What is the SMILES notation for [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate?

The canonical SMILES for [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate is C=C1C(=CC=C2CCC[C@@]3(C)C2CC[C@@H]3[C@@H](C)COC(=O)C(C)(C)O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate?

The InChIKey is JYGATMIIVKIILZ-XVPPZRKVSA-N. The full InChI is InChI=1S/C41H76O5Si3/c1-29(28-43-37(42)40(9,10)46-47(12,13)14)34-23-24-35-31(20-19-25-41(34,35)11)21-22-32-26-33(44-48(15,16)38(3,4)5)27-36(30(32)2)45-49(17,18)39(6,7)8/h21-22,29,33-36H,2,19-20,23-28H2,1,3-18H3/t29-,33+,34+,35?,36-,41+/m0/s1.

What are the key properties of [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate?

[(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate has a molecular weight of 733.31 g/mol, XLogP of 12.00, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate is sourced from PubChem (CID 57083563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).