(3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal

C24H50O3Si2 — CID 10917221

About (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal

(3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal (PubChem CID 10917221) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal.

Molecular Properties

• Compound Name: (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal
• PubChem CID: 10917221
• Molecular Formula: C24H50O3Si2
• Molecular Weight: 442.83 g/mol
• Exact Mass: 442.33
• IUPAC Name: (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal
• SMILES: C=C(C[C@@H](CC=O)O[Si](CC)(CC)CC)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C24H50O3Si2/c1-12-28(13-2,14-3)27-24(15-16-25)17-22(10)23(11)18-26-29(19(4)5,20(6)7)21(8)9/h16,19-21,23-24H,10,12-15,17-18H2,1-9,11H3/t23-,24+/m0/s1
• InChIKey: XSKJSLJFIBWSHJ-BJKOFHAPSA-N
• XLogP: 7.74
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.83
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal?

The IUPAC name of (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal (CID 10917221) is (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal.

What is the SMILES notation for (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal?

The canonical SMILES for (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal is C=C(C[C@@H](CC=O)O[Si](CC)(CC)CC)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal?

The InChIKey is XSKJSLJFIBWSHJ-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-12-28(13-2,14-3)27-24(15-16-25)17-22(10)23(11)18-26-29(19(4)5,20(6)7)21(8)9/h16,19-21,23-24H,10,12-15,17-18H2,1-9,11H3/t23-,24+/m0/s1.

What are the key properties of (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal?

(3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal has a molecular weight of 442.83 g/mol, XLogP of 7.74, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal is sourced from PubChem (CID 10917221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).