(5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one

C37H76O5Si3 — CID 10532616

About (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one

(5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one (PubChem CID 10532616) has the molecular formula C37H76O5Si3 and a molecular weight of 685.27 g/mol. Its IUPAC name is (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one
• PubChem CID: 10532616
• Molecular Formula: C37H76O5Si3
• Molecular Weight: 685.27 g/mol
• Exact Mass: 684.50
• IUPAC Name: (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one
• SMILES: CC(C)[Si](OC[C@H]1O[C@]2(CCCC2=O)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)(C(C)C)C(C)C
• InChI: InChI=1S/C37H76O5Si3/c1-24(2)43(25(3)4,26(5)6)39-23-34-36(42-45(30(13)14,31(15)16)32(17)18)33(22-37(40-34)21-19-20-35(37)38)41-44(27(7)8,28(9)10)29(11)12/h24-34,36H,19-23H2,1-18H3/t33-,34-,36+,37-/m1/s1
• InChIKey: MNJAWSHFZGOAQG-ANEMQYSTSA-N
• XLogP: 11.58
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.27
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one?

The IUPAC name of (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one (CID 10532616) is (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one.

What is the SMILES notation for (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one?

The canonical SMILES for (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one is CC(C)[Si](OC[C@H]1O[C@]2(CCCC2=O)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)(C(C)C)C(C)C.

What is the InChIKey of (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one?

The InChIKey is MNJAWSHFZGOAQG-ANEMQYSTSA-N. The full InChI is InChI=1S/C37H76O5Si3/c1-24(2)43(25(3)4,26(5)6)39-23-34-36(42-45(30(13)14,31(15)16)32(17)18)33(22-37(40-34)21-19-20-35(37)38)41-44(27(7)8,28(9)10)29(11)12/h24-34,36H,19-23H2,1-18H3/t33-,34-,36+,37-/m1/s1.

What are the key properties of (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one?

(5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one has a molecular weight of 685.27 g/mol, XLogP of 11.58, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 10532616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).