3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol

C37H62O15Si — CID 162348767

About 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol

3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol (PubChem CID 162348767) has the molecular formula C37H62O15Si and a molecular weight of 774.97 g/mol. Its IUPAC name is 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol
• PubChem CID: 162348767
• Molecular Formula: C37H62O15Si
• Molecular Weight: 774.97 g/mol
• Exact Mass: 774.39
• IUPAC Name: 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol
• SMILES: CC(C)(C)[Si](OCC(COCC(COCC(O)CO)OCC(O)CO)OCC(COCC(O)CO)OCC(O)CO)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C37H62O15Si/c1-37(2,3)53(35-10-6-4-7-11-35,36-12-8-5-9-13-36)52-27-34(51-26-33(50-21-31(45)17-41)24-47-19-29(43)15-39)25-48-23-32(49-20-30(44)16-40)22-46-18-28(42)14-38/h4-13,28-34,38-45H,14-27H2,1-3H3
• InChIKey: CTJKCVVWUHPLJL-UHFFFAOYSA-N
• XLogP: -1.82
• TPSA: 226.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	774.97
LogP ≤ 5	-1.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol?

The IUPAC name of 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol (CID 162348767) is 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol.

What is the SMILES notation for 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol?

The canonical SMILES for 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol is CC(C)(C)[Si](OCC(COCC(COCC(O)CO)OCC(O)CO)OCC(COCC(O)CO)OCC(O)CO)(c1ccccc1)c1ccccc1.

What is the InChIKey of 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol?

The InChIKey is CTJKCVVWUHPLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H62O15Si/c1-37(2,3)53(35-10-6-4-7-11-35,36-12-8-5-9-13-36)52-27-34(51-26-33(50-21-31(45)17-41)24-47-19-29(43)15-39)25-48-23-32(49-20-30(44)16-40)22-46-18-28(42)14-38/h4-13,28-34,38-45H,14-27H2,1-3H3.

What are the key properties of 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol?

3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol has a molecular weight of 774.97 g/mol, XLogP of -1.82, 30 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol is sourced from PubChem (CID 162348767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).