[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C23H42O5Si — CID 135022818

About [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 135022818) has the molecular formula C23H42O5Si and a molecular weight of 426.67 g/mol. Its IUPAC name is [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

• Compound Name: [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
• PubChem CID: 135022818
• Molecular Formula: C23H42O5Si
• Molecular Weight: 426.67 g/mol
• Exact Mass: 426.28
• IUPAC Name: [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
• SMILES: C=C[C@H](CC(=O)O[C@H](CCC)C[C@@H]1OC(C)(C)O[C@H]1C=C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H42O5Si/c1-11-14-18(15-20-19(13-3)26-23(7,8)27-20)25-21(24)16-17(12-2)28-29(9,10)22(4,5)6/h12-13,17-20H,2-3,11,14-16H2,1,4-10H3/t17-,18-,19+,20+/m1/s1
• InChIKey: BVEBXOVZSMOJRI-ZRNYENFQSA-N
• XLogP: 5.76
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.67
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?

The IUPAC name of [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 135022818) is [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

What is the SMILES notation for [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?

The canonical SMILES for [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=C[C@H](CC(=O)O[C@H](CCC)C[C@@H]1OC(C)(C)O[C@H]1C=C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?

The InChIKey is BVEBXOVZSMOJRI-ZRNYENFQSA-N. The full InChI is InChI=1S/C23H42O5Si/c1-11-14-18(15-20-19(13-3)26-23(7,8)27-20)25-21(24)16-17(12-2)28-29(9,10)22(4,5)6/h12-13,17-20H,2-3,11,14-16H2,1,4-10H3/t17-,18-,19+,20+/m1/s1.

What are the key properties of [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?

[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 426.67 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 135022818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).