[(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane

C22H44O3Si — CID 134863688

About [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane

[(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 134863688) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
• PubChem CID: 134863688
• Molecular Formula: C22H44O3Si
• Molecular Weight: 384.68 g/mol
• Exact Mass: 384.31
• IUPAC Name: [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
• SMILES: C/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)OC[C@H]1C
• InChI: InChI=1S/C22H44O3Si/c1-15(2)26(16(3)4,17(5)6)24-13-18(7)12-19(8)21-20(9)14-23-22(10,11)25-21/h12,15-18,20-21H,13-14H2,1-11H3/b19-12+/t18-,20+,21-/m0/s1
• InChIKey: JFCHFMSAXQONJO-GZFKDDIDSA-N
• XLogP: 6.55
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.68
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?

The IUPAC name of [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane (CID 134863688) is [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane is C/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)(C)OC[C@H]1C.

What is the InChIKey of [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?

The InChIKey is JFCHFMSAXQONJO-GZFKDDIDSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-15(2)26(16(3)4,17(5)6)24-13-18(7)12-19(8)21-20(9)14-23-22(10,11)25-21/h12,15-18,20-21H,13-14H2,1-11H3/b19-12+/t18-,20+,21-/m0/s1.

What are the key properties of [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane?

[(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 384.68 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134863688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).