(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

C20H40O4Si — CID 53230773

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 53230773) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
• PubChem CID: 53230773
• Molecular Formula: C20H40O4Si
• Molecular Weight: 372.62 g/mol
• Exact Mass: 372.27
• IUPAC Name: (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
• SMILES: CCCCCCC[C@H]1OC(C)(C)O[C@@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H40O4Si/c1-9-10-11-12-13-14-16-18(23-20(5,6)22-16)17(15-21)24-25(7,8)19(2,3)4/h15-18H,9-14H2,1-8H3/t16-,17+,18+/m1/s1
• InChIKey: SXFDTGZVPZAHQR-SQNIBIBYSA-N
• XLogP: 5.46
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.62
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?

The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 53230773) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?

The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is CCCCCCC[C@H]1OC(C)(C)O[C@@H]1[C@H](C=O)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?

The InChIKey is SXFDTGZVPZAHQR-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-9-10-11-12-13-14-16-18(23-20(5,6)22-16)17(15-21)24-25(7,8)19(2,3)4/h15-18H,9-14H2,1-8H3/t16-,17+,18+/m1/s1.

What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 372.62 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 53230773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).