[[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide

C39H72CrO9Si3 — CID 11051104

About [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide

[[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide (PubChem CID 11051104) has the molecular formula C39H72CrO9Si3 and a molecular weight of 821.25 g/mol. Its IUPAC name is [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide.

Molecular Properties

• Compound Name: [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide
• PubChem CID: 11051104
• Molecular Formula: C39H72CrO9Si3
• Molecular Weight: 821.25 g/mol
• Exact Mass: 820.39
• IUPAC Name: [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide
• SMILES: COC(=[Cr])C1=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
• InChI: InChI=1S/C35H72O5Si3.4CO.Cr/c1-23(2)41(24(3)4,25(5)6)37-22-34-35(40-43(29(13)14,30(15)16)31(17)18)33(20-32(38-34)21-36-19)39-42(26(7)8,27(9)10)28(11)12;4*1-2;/h20,23-31,33-35H,22H2,1-19H3;;;;;/t33-,34-,35+;;;;;/m1...../s1
• InChIKey: DKVUTHIPDHUNJM-OYCVIBQVSA-N
• XLogP: 10.76
• TPSA: 125.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.25
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide?

The IUPAC name of [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide (CID 11051104) is [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide.

What is the SMILES notation for [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide?

The canonical SMILES for [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide is COC(=[Cr])C1=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].

What is the InChIKey of [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide?

The InChIKey is DKVUTHIPDHUNJM-OYCVIBQVSA-N. The full InChI is InChI=1S/C35H72O5Si3.4CO.Cr/c1-23(2)41(24(3)4,25(5)6)37-22-34-35(40-43(29(13)14,30(15)16)31(17)18)33(20-32(38-34)21-36-19)39-42(26(7)8,27(9)10)28(11)12;4*1-2;/h20,23-31,33-35H,22H2,1-19H3;;;;;/t33-,34-,35+;;;;;/m1...../s1.

What are the key properties of [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide?

[[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide has a molecular weight of 821.25 g/mol, XLogP of 10.76, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium;carbon monoxide is sourced from PubChem (CID 11051104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).