(2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol

C25H56O5Si3 — CID 11477929

About (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol

(2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol (PubChem CID 11477929) has the molecular formula C25H56O5Si3 and a molecular weight of 520.98 g/mol. Its IUPAC name is (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol.

Molecular Properties

• Compound Name: (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol
• PubChem CID: 11477929
• Molecular Formula: C25H56O5Si3
• Molecular Weight: 520.98 g/mol
• Exact Mass: 520.34
• IUPAC Name: (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol
• SMILES: C=C(CC(O)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)[C@@H](C)[C@@H](C)O[Si](C)(C)C
• InChI: InChI=1S/C25H56O5Si3/c1-20(21(2)22(3)30-32(10,11)12)17-23(26)24(18-29-33(13,14)25(4,5)6)28-19-27-15-16-31(7,8)9/h21-24,26H,1,15-19H2,2-14H3/t21-,22-,23?,24-/m1/s1
• InChIKey: SXCMWSJMIZVOIS-ANZSPHHOSA-N
• XLogP: 6.89
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.98
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
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 (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol?

The IUPAC name of (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol (CID 11477929) is (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol.

What is the SMILES notation for (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol?

The canonical SMILES for (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol is C=C(CC(O)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)[C@@H](C)[C@@H](C)O[Si](C)(C)C.

What is the InChIKey of (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol?

The InChIKey is SXCMWSJMIZVOIS-ANZSPHHOSA-N. The full InChI is InChI=1S/C25H56O5Si3/c1-20(21(2)22(3)30-32(10,11)12)17-23(26)24(18-29-33(13,14)25(4,5)6)28-19-27-15-16-31(7,8)9/h21-24,26H,1,15-19H2,2-14H3/t21-,22-,23?,24-/m1/s1.

What are the key properties of (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol?

(2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol has a molecular weight of 520.98 g/mol, XLogP of 6.89, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-methylidene-2-(2-trimethylsilylethoxymethoxy)-7-trimethylsilyloxyoctan-3-ol is sourced from PubChem (CID 11477929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).