[(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium

C36H74CrO4Si3 — CID 11331916

About [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium

[(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium (PubChem CID 11331916) has the molecular formula C36H74CrO4Si3 and a molecular weight of 707.24 g/mol. Its IUPAC name is [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium.

Molecular Properties

• Compound Name: [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium
• PubChem CID: 11331916
• Molecular Formula: C36H74CrO4Si3
• Molecular Weight: 707.24 g/mol
• Exact Mass: 706.43
• IUPAC Name: [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium
• SMILES: C=CC[C@@H]1C(=[Cr])O[C@H](CO[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]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C36H74O4Si3.Cr/c1-20-21-33-22-37-34(23-38-41(24(2)3,25(4)5)26(6)7)36(40-43(30(14)15,31(16)17)32(18)19)35(33)39-42(27(8)9,28(10)11)29(12)13;/h20,24-36H,1,21,23H2,2-19H3;/t33-,34-,35-,36-;/m1./s1
• InChIKey: YEYAOVTWCLMHDF-HLOFTBFBSA-N
• XLogP: 11.57
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.24
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium?

The IUPAC name of [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium (CID 11331916) is [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium.

What is the SMILES notation for [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium?

The canonical SMILES for [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium is C=CC[C@@H]1C(=[Cr])O[C@H](CO[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]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium?

The InChIKey is YEYAOVTWCLMHDF-HLOFTBFBSA-N. The full InChI is InChI=1S/C36H74O4Si3.Cr/c1-20-21-33-22-37-34(23-38-41(24(2)3,25(4)5)26(6)7)36(40-43(30(14)15,31(16)17)32(18)19)35(33)39-42(27(8)9,28(10)11)29(12)13;/h20,24-36H,1,21,23H2,2-19H3;/t33-,34-,35-,36-;/m1./s1.

What are the key properties of [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium?

[(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium has a molecular weight of 707.24 g/mol, XLogP of 11.57, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5R,6R)-3-prop-2-enyl-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ylidene]chromium is sourced from PubChem (CID 11331916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).