1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one

C19H36O2Si — CID 11301783

About 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one

1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one (PubChem CID 11301783) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one
• PubChem CID: 11301783
• Molecular Formula: C19H36O2Si
• Molecular Weight: 324.58 g/mol
• Exact Mass: 324.25
• IUPAC Name: 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one
• SMILES: CC/C=C\C[C@@H]1C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1CC(C)=O
• InChI: InChI=1S/C19H36O2Si/c1-8-9-10-11-17-16(14-15(2)20)12-13-18(17)21-22(6,7)19(3,4)5/h9-10,16-18H,8,11-14H2,1-7H3/b10-9-/t16-,17+,18?/m1/s1
• InChIKey: LSYWSFLWYZSBNT-HKUSEIAMSA-N
• XLogP: 5.74
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	324.58
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one?

The IUPAC name of 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one (CID 11301783) is 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one.

What is the SMILES notation for 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one?

The canonical SMILES for 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one is CC/C=C\C[C@@H]1C(O[Si](C)(C)C(C)(C)C)CC[C@@H]1CC(C)=O.

What is the InChIKey of 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one?

The InChIKey is LSYWSFLWYZSBNT-HKUSEIAMSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-8-9-10-11-17-16(14-15(2)20)12-13-18(17)21-22(6,7)19(3,4)5/h9-10,16-18H,8,11-14H2,1-7H3/b10-9-/t16-,17+,18?/m1/s1.

What are the key properties of 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one?

1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one has a molecular weight of 324.58 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one is sourced from PubChem (CID 11301783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).