(4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one

C22H42O4Si — CID 11846597

About (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one

(4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one (PubChem CID 11846597) has the molecular formula C22H42O4Si and a molecular weight of 398.66 g/mol. Its IUPAC name is (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one.

Molecular Properties

• Compound Name: (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one
• PubChem CID: 11846597
• Molecular Formula: C22H42O4Si
• Molecular Weight: 398.66 g/mol
• Exact Mass: 398.29
• IUPAC Name: (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one
• SMILES: CC[C@H](/C=C(/C)[C@H]1C[C@@H](OC)CC(=O)O1)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C22H42O4Si/c1-10-19(14-25-27(15(2)3,16(4)5)17(6)7)11-18(8)21-12-20(24-9)13-22(23)26-21/h11,15-17,19-21H,10,12-14H2,1-9H3/b18-11-/t19-,20-,21-/m1/s1
• InChIKey: UQDVYESRIJGYGP-SHFOFRQLSA-N
• XLogP: 5.87
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.66
LogP ≤ 5	5.87
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 (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?

The IUPAC name of (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one (CID 11846597) is (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one.

What is the SMILES notation for (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?

The canonical SMILES for (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one is CC[C@H](/C=C(/C)[C@H]1C[C@@H](OC)CC(=O)O1)CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?

The InChIKey is UQDVYESRIJGYGP-SHFOFRQLSA-N. The full InChI is InChI=1S/C22H42O4Si/c1-10-19(14-25-27(15(2)3,16(4)5)17(6)7)11-18(8)21-12-20(24-9)13-22(23)26-21/h11,15-17,19-21H,10,12-14H2,1-9H3/b18-11-/t19-,20-,21-/m1/s1.

What are the key properties of (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one?

(4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one has a molecular weight of 398.66 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one is sourced from PubChem (CID 11846597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).