(3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol

C33H72O6Si4 — CID 101106250

About (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol

(3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol (PubChem CID 101106250) has the molecular formula C33H72O6Si4 and a molecular weight of 677.28 g/mol. Its IUPAC name is (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol.

Molecular Properties

• Compound Name: (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol
• PubChem CID: 101106250
• Molecular Formula: C33H72O6Si4
• Molecular Weight: 677.28 g/mol
• Exact Mass: 676.44
• IUPAC Name: (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O/C(=C\CCO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H72O6Si4/c1-30(2,3)40(13,14)35-24-26(37-41(15,16)31(4,5)6)27-29(39-43(19,20)33(10,11)12)28(25(36-27)22-21-23-34)38-42(17,18)32(7,8)9/h22,26-29,34H,21,23-24H2,1-20H3/b25-22-/t26-,27-,28+,29+/m1/s1
• InChIKey: PZDGHPGDGJHJRR-BRUHGQGOSA-N
• XLogP: 9.84
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.28
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol?

The IUPAC name of (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol (CID 101106250) is (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol.

What is the SMILES notation for (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol?

The canonical SMILES for (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol is CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O/C(=C\CCO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol?

The InChIKey is PZDGHPGDGJHJRR-BRUHGQGOSA-N. The full InChI is InChI=1S/C33H72O6Si4/c1-30(2,3)40(13,14)35-24-26(37-41(15,16)31(4,5)6)27-29(39-43(19,20)33(10,11)12)28(25(36-27)22-21-23-34)38-42(17,18)32(7,8)9/h22,26-29,34H,21,23-24H2,1-20H3/b25-22-/t26-,27-,28+,29+/m1/s1.

What are the key properties of (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol?

(3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol has a molecular weight of 677.28 g/mol, XLogP of 9.84, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-3-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]propan-1-ol is sourced from PubChem (CID 101106250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).