(E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol

C33H62O3Si2 — CID 10951885

About (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol

(E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol (PubChem CID 10951885) has the molecular formula C33H62O3Si2 and a molecular weight of 563.03 g/mol. Its IUPAC name is (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol.

Molecular Properties

• Compound Name: (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol
• PubChem CID: 10951885
• Molecular Formula: C33H62O3Si2
• Molecular Weight: 563.03 g/mol
• Exact Mass: 562.42
• IUPAC Name: (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol
• SMILES: CC[C@H]1O[C@@H]([C@H](O)C/C=C/C#C[Si](C(C)C)(C(C)C)C(C)C)C/C=C\C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C33H62O3Si2/c1-14-31-33(36-38(27(8)9,28(10)11)29(12)13)22-18-17-21-32(35-31)30(34)20-16-15-19-23-37(24(2)3,25(4)5)26(6)7/h15-18,24-34H,14,20-22H2,1-13H3/b16-15+,18-17-/t30-,31-,32-,33-/m1/s1
• InChIKey: UYWRIFZMXXYJNY-TWDTZWHQSA-N
• XLogP: 9.59
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.03
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol?

The IUPAC name of (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol (CID 10951885) is (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol.

What is the SMILES notation for (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol?

The canonical SMILES for (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol is CC[C@H]1O[C@@H]([C@H](O)C/C=C/C#C[Si](C(C)C)(C(C)C)C(C)C)C/C=C\C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol?

The InChIKey is UYWRIFZMXXYJNY-TWDTZWHQSA-N. The full InChI is InChI=1S/C33H62O3Si2/c1-14-31-33(36-38(27(8)9,28(10)11)29(12)13)22-18-17-21-32(35-31)30(34)20-16-15-19-23-37(24(2)3,25(4)5)26(6)7/h15-18,24-34H,14,20-22H2,1-13H3/b16-15+,18-17-/t30-,31-,32-,33-/m1/s1.

What are the key properties of (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol?

(E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol has a molecular weight of 563.03 g/mol, XLogP of 9.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E,1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-tri(propan-2-yl)silyloxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol is sourced from PubChem (CID 10951885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).