[(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate

C29H56O5Si — CID 11785580

About [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate

[(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate (PubChem CID 11785580) has the molecular formula C29H56O5Si and a molecular weight of 512.85 g/mol. Its IUPAC name is [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate
• PubChem CID: 11785580
• Molecular Formula: C29H56O5Si
• Molecular Weight: 512.85 g/mol
• Exact Mass: 512.39
• IUPAC Name: [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate
• SMILES: CC(C)[Si](OCCC[C@H]1O[C@H](CCC[C@@H](O)CCOC(=O)C(C)(C)C)C=C[C@@H]1C)(C(C)C)C(C)C
• InChI: InChI=1S/C29H56O5Si/c1-21(2)35(22(3)4,23(5)6)33-19-12-15-27-24(7)16-17-26(34-27)14-11-13-25(30)18-20-32-28(31)29(8,9)10/h16-17,21-27,30H,11-15,18-20H2,1-10H3/t24-,25+,26+,27+/m0/s1
• InChIKey: LGPWSTJVNGYPAF-FICKONGGSA-N
• XLogP: 7.43
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.85
LogP ≤ 5	7.43
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate?

The IUPAC name of [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate (CID 11785580) is [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate is CC(C)[Si](OCCC[C@H]1O[C@H](CCC[C@@H](O)CCOC(=O)C(C)(C)C)C=C[C@@H]1C)(C(C)C)C(C)C.

What is the InChIKey of [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate?

The InChIKey is LGPWSTJVNGYPAF-FICKONGGSA-N. The full InChI is InChI=1S/C29H56O5Si/c1-21(2)35(22(3)4,23(5)6)33-19-12-15-27-24(7)16-17-26(34-27)14-11-13-25(30)18-20-32-28(31)29(8,9)10/h16-17,21-27,30H,11-15,18-20H2,1-10H3/t24-,25+,26+,27+/m0/s1.

What are the key properties of [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate?

[(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate has a molecular weight of 512.85 g/mol, XLogP of 7.43, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-hydroxy-6-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]hexyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11785580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).