(2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal

C28H60O5Si2 — CID 135049191

About (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal

(2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal (PubChem CID 135049191) has the molecular formula C28H60O5Si2 and a molecular weight of 532.96 g/mol. Its IUPAC name is (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal.

Molecular Properties

• Compound Name: (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal
• PubChem CID: 135049191
• Molecular Formula: C28H60O5Si2
• Molecular Weight: 532.96 g/mol
• Exact Mass: 532.40
• IUPAC Name: (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal
• SMILES: CC[Si](CC)(CC)O[C@H]([C@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OC)[C@H](C[C@@H](C)C=O)OC
• InChI: InChI=1S/C28H60O5Si2/c1-14-34(15-2,16-3)33-28(26(30-12)17-24(10)19-29)27(31-13)18-25(11)20-32-35(21(4)5,22(6)7)23(8)9/h19,21-28H,14-18,20H2,1-13H3/t24-,25-,26+,27+,28+/m1/s1
• InChIKey: QXWMBDIRUXAHCB-MASCHLQQSA-N
• XLogP: 7.85
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.96
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal?

The IUPAC name of (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal (CID 135049191) is (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal.

What is the SMILES notation for (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal?

The canonical SMILES for (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal is CC[Si](CC)(CC)O[C@H]([C@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OC)[C@H](C[C@@H](C)C=O)OC.

What is the InChIKey of (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal?

The InChIKey is QXWMBDIRUXAHCB-MASCHLQQSA-N. The full InChI is InChI=1S/C28H60O5Si2/c1-14-34(15-2,16-3)33-28(26(30-12)17-24(10)19-29)27(31-13)18-25(11)20-32-35(21(4)5,22(6)7)23(8)9/h19,21-28H,14-18,20H2,1-13H3/t24-,25-,26+,27+,28+/m1/s1.

What are the key properties of (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal?

(2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal has a molecular weight of 532.96 g/mol, XLogP of 7.85, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal is sourced from PubChem (CID 135049191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).