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

C37H66O4Si2 — CID 57122534

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

cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate (PubChem CID 57122534) has the molecular formula C37H66O4Si2 and a molecular weight of 631.10 g/mol. Its IUPAC name is cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate.

Molecular Properties

• Compound Name: cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate
• PubChem CID: 57122534
• Molecular Formula: C37H66O4Si2
• Molecular Weight: 631.10 g/mol
• Exact Mass: 630.45
• IUPAC Name: cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate
• SMILES: C[C@H](C(=O)OCC1CC1)[C@H]1CC[C@H]2C(=CC=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C
• InChI: InChI=1S/C37H66O4Si2/c1-26(34(38)39-25-27-15-16-27)32-19-20-33-29(14-13-21-37(32,33)8)18-17-28-22-30(40-42(9,10)35(2,3)4)24-31(23-28)41-43(11,12)36(5,6)7/h17-18,26-27,30-33H,13-16,19-25H2,1-12H3/t26-,30+,31+,32+,33-,37+/m0/s1
• InChIKey: SJXFQXDFMRHGRP-GIJADLHBSA-N
• XLogP: 10.61
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.10
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	0
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 cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate?

The IUPAC name of cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate (CID 57122534) is cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate.

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

The canonical SMILES for cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate is C[C@H](C(=O)OCC1CC1)[C@H]1CC[C@H]2C(=CC=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C.

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

The InChIKey is SJXFQXDFMRHGRP-GIJADLHBSA-N. The full InChI is InChI=1S/C37H66O4Si2/c1-26(34(38)39-25-27-15-16-27)32-19-20-33-29(14-13-21-37(32,33)8)18-17-28-22-30(40-42(9,10)35(2,3)4)24-31(23-28)41-43(11,12)36(5,6)7/h17-18,26-27,30-33H,13-16,19-25H2,1-12H3/t26-,30+,31+,32+,33-,37+/m0/s1.

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

cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate has a molecular weight of 631.10 g/mol, XLogP of 10.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl (2S)-2-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate is sourced from PubChem (CID 57122534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).