methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate

C19H34O3Si — CID 10969821

About methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate

methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate (PubChem CID 10969821) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
• PubChem CID: 10969821
• Molecular Formula: C19H34O3Si
• Molecular Weight: 338.56 g/mol
• Exact Mass: 338.23
• IUPAC Name: methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
• SMILES: CC/C=C\C[C@H]1[C@@H](CC(=O)OC)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H34O3Si/c1-8-9-10-11-16-15(14-18(20)21-5)12-13-17(16)22-23(6,7)19(2,3)4/h9-10,12-13,15-17H,8,11,14H2,1-7H3/b10-9-/t15-,16+,17+/m1/s1
• InChIKey: ZEBQCMAHTVGZNZ-USAJIHADSA-N
• XLogP: 5.10
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.56
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?

The IUPAC name of methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate (CID 10969821) is methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate.

What is the SMILES notation for methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?

The canonical SMILES for methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate is CC/C=C\C[C@H]1[C@@H](CC(=O)OC)C=C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?

The InChIKey is ZEBQCMAHTVGZNZ-USAJIHADSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-8-9-10-11-16-15(14-18(20)21-5)12-13-17(16)22-23(6,7)19(2,3)4/h9-10,12-13,15-17H,8,11,14H2,1-7H3/b10-9-/t15-,16+,17+/m1/s1.

What are the key properties of methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate?

methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate has a molecular weight of 338.56 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(1S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 10969821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).