(2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol

C24H48O5Si — CID 151153158

About (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol (PubChem CID 151153158) has the molecular formula C24H48O5Si and a molecular weight of 444.73 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
• PubChem CID: 151153158
• Molecular Formula: C24H48O5Si
• Molecular Weight: 444.73 g/mol
• Exact Mass: 444.33
• IUPAC Name: (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
• SMILES: C=CCCCCCCCCO[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C24H48O5Si/c1-8-9-10-11-12-13-14-15-16-27-24-23(26)22(25)21(29-24)17-28-30(18(2)3,19(4)5)20(6)7/h8,18-26H,1,9-17H2,2-7H3/t21-,22-,23-,24-/m1/s1
• InChIKey: MYQSYNWMXDIGPS-MOUTVQLLSA-N
• XLogP: 5.56
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.73
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
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 (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol (CID 151153158) is (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol is C=CCCCCCCCCO[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

The InChIKey is MYQSYNWMXDIGPS-MOUTVQLLSA-N. The full InChI is InChI=1S/C24H48O5Si/c1-8-9-10-11-12-13-14-15-16-27-24-23(26)22(25)21(29-24)17-28-30(18(2)3,19(4)5)20(6)7/h8,18-26H,1,9-17H2,2-7H3/t21-,22-,23-,24-/m1/s1.

What are the key properties of (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

(2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol has a molecular weight of 444.73 g/mol, XLogP of 5.56, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-dec-9-enoxy-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol is sourced from PubChem (CID 151153158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).