cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one

C23H44O5Si — CID 124629306

About cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one

cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one (PubChem CID 124629306) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one
• PubChem CID: 124629306
• Molecular Formula: C23H44O5Si
• Molecular Weight: 428.69 g/mol
• Exact Mass: 428.30
• IUPAC Name: cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one
• SMILES: CCCCC[C@H](/C=C\[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC
• InChI: InChI=1S/C23H44O5Si/c1-8-9-10-11-21(27-18-26-15-14-25-5)13-12-19-16-20(24)17-22(19)28-29(6,7)23(2,3)4/h12-13,19,21-22H,8-11,14-18H2,1-7H3/b13-12-/t19-,21-,22-/m1/s1
• InChIKey: UOHYGYKCCYPZLJ-VDLIZKSESA-N
• XLogP: 5.50
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.69
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one?

The IUPAC name of cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one (CID 124629306) is cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one.

What is the SMILES notation for cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one?

The canonical SMILES for cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one is CCCCC[C@H](/C=C\[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC.

What is the InChIKey of cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one?

The InChIKey is UOHYGYKCCYPZLJ-VDLIZKSESA-N. The full InChI is InChI=1S/C23H44O5Si/c1-8-9-10-11-21(27-18-26-15-14-25-5)13-12-19-16-20(24)17-22(19)28-29(6,7)23(2,3)4/h12-13,19,21-22H,8-11,14-18H2,1-7H3/b13-12-/t19-,21-,22-/m1/s1.

What are the key properties of cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one?

cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one has a molecular weight of 428.69 g/mol, XLogP of 5.50, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 124629306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).