[(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate

C23H44O4Si2 — CID 15755096

About [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate

[(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate (PubChem CID 15755096) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate.

Molecular Properties

• Compound Name: [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
• PubChem CID: 15755096
• Molecular Formula: C23H44O4Si2
• Molecular Weight: 440.77 g/mol
• Exact Mass: 440.28
• IUPAC Name: [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
• SMILES: C=C1/C(=C/COC(C)=O)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/C23H44O4Si2/c1-17-19(13-14-25-18(2)24)15-20(26-28(9,10)22(3,4)5)16-21(17)27-29(11,12)23(6,7)8/h13,20-21H,1,14-16H2,2-12H3/b19-13+/t20-,21-/m0/s1
• InChIKey: CJSNZECDJVOIAX-YBUCYZLGSA-N
• XLogP: 6.61
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.77
LogP ≤ 5	6.61
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 [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate?

The IUPAC name of [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate (CID 15755096) is [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate.

What is the SMILES notation for [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate?

The canonical SMILES for [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate is C=C1/C(=C/COC(C)=O)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 [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate?

The InChIKey is CJSNZECDJVOIAX-YBUCYZLGSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-17-19(13-14-25-18(2)24)15-20(26-28(9,10)22(3,4)5)16-21(17)27-29(11,12)23(6,7)8/h13,20-21H,1,14-16H2,2-12H3/b19-13+/t20-,21-/m0/s1.

What are the key properties of [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate?

[(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate has a molecular weight of 440.77 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate is sourced from PubChem (CID 15755096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).