4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol

C38H70O4Si2 — CID 162342642

About 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol

4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol (PubChem CID 162342642) has the molecular formula C38H70O4Si2 and a molecular weight of 647.15 g/mol. Its IUPAC name is 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol.

Molecular Properties

• Compound Name: 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol
• PubChem CID: 162342642
• Molecular Formula: C38H70O4Si2
• Molecular Weight: 647.15 g/mol
• Exact Mass: 646.48
• IUPAC Name: 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol
• SMILES: C=C1C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)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/C38H70O4Si2/c1-27-30(25-31(41-43(12,13)35(3,4)5)26-34(27)42-44(14,15)36(6,7)8)19-18-29-17-16-22-38(11)32(20-21-33(29)38)28(2)40-24-23-37(9,10)39/h18-19,28,31-34,39H,1,16-17,20-26H2,2-15H3/b29-18+,30-19?/t28-,31+,32+,33-,34-,38+/m0/s1
• InChIKey: VIQGGYZFTMULIY-NVBSDKJZSA-N
• XLogP: 10.75
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.15
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol?

The IUPAC name of 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol (CID 162342642) is 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol.

What is the SMILES notation for 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol?

The canonical SMILES for 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol is C=C1C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)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 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol?

The InChIKey is VIQGGYZFTMULIY-NVBSDKJZSA-N. The full InChI is InChI=1S/C38H70O4Si2/c1-27-30(25-31(41-43(12,13)35(3,4)5)26-34(27)42-44(14,15)36(6,7)8)19-18-29-17-16-22-38(11)32(20-21-33(29)38)28(2)40-24-23-37(9,10)39/h18-19,28,31-34,39H,1,16-17,20-26H2,2-15H3/b29-18+,30-19?/t28-,31+,32+,33-,34-,38+/m0/s1.

What are the key properties of 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol?

4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol has a molecular weight of 647.15 g/mol, XLogP of 10.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-[(1S,3aS,4E,7aS)-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]ethoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 162342642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).