(2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol

C24H48O4Si — CID 11281810

About (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol

(2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol (PubChem CID 11281810) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol
• PubChem CID: 11281810
• Molecular Formula: C24H48O4Si
• Molecular Weight: 428.73 g/mol
• Exact Mass: 428.33
• IUPAC Name: (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol
• SMILES: C=CC[C@H](O)C[C@H]1C[C@@H](CCCCO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1
• InChI: InChI=1S/C24H48O4Si/c1-10-13-21(25)16-23-17-22(27-24(8,9)28-23)14-11-12-15-26-29(18(2)3,19(4)5)20(6)7/h10,18-23,25H,1,11-17H2,2-9H3/t21-,22+,23-/m0/s1
• InChIKey: VSHGXBJDQVVFJA-ZRBLBEILSA-N
• XLogP: 6.59
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.73
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol?

The IUPAC name of (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol (CID 11281810) is (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol.

What is the SMILES notation for (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol?

The canonical SMILES for (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol is C=CC[C@H](O)C[C@H]1C[C@@H](CCCCO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1.

What is the InChIKey of (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol?

The InChIKey is VSHGXBJDQVVFJA-ZRBLBEILSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-10-13-21(25)16-23-17-22(27-24(8,9)28-23)14-11-12-15-26-29(18(2)3,19(4)5)20(6)7/h10,18-23,25H,1,11-17H2,2-9H3/t21-,22+,23-/m0/s1.

What are the key properties of (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol?

(2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol has a molecular weight of 428.73 g/mol, XLogP of 6.59, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol is sourced from PubChem (CID 11281810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).