ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate

C19H36O3Si — CID 11186872

About ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate

ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate (PubChem CID 11186872) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate
• PubChem CID: 11186872
• Molecular Formula: C19H36O3Si
• Molecular Weight: 340.58 g/mol
• Exact Mass: 340.24
• IUPAC Name: ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate
• SMILES: CCOC(=O)/C=C1/C[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1C
• InChI: InChI=1S/C19H36O3Si/c1-10-21-17(20)12-15-11-16(19(6,7)14(15)2)13-22-23(8,9)18(3,4)5/h12,14,16H,10-11,13H2,1-9H3/b15-12-/t14-,16+/m1/s1
• InChIKey: WYSBWMVGYFFYIC-USTAHWGDSA-N
• XLogP: 5.18
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.58
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate (CID 11186872) is ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate is CCOC(=O)/C=C1/C[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1C.

What is the InChIKey of ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate?

The InChIKey is WYSBWMVGYFFYIC-USTAHWGDSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-10-21-17(20)12-15-11-16(19(6,7)14(15)2)13-22-23(8,9)18(3,4)5/h12,14,16H,10-11,13H2,1-9H3/b15-12-/t14-,16+/m1/s1.

What are the key properties of ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate?

ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate has a molecular weight of 340.58 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate is sourced from PubChem (CID 11186872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).