bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane

C24H44O3Si — CID 135070779

About bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane

bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane (PubChem CID 135070779) has the molecular formula C24H44O3Si and a molecular weight of 408.70 g/mol. Its IUPAC name is bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane.

Molecular Properties

• Compound Name: bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
• PubChem CID: 135070779
• Molecular Formula: C24H44O3Si
• Molecular Weight: 408.70 g/mol
• Exact Mass: 408.31
• IUPAC Name: bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
• SMILES: C=C[C@H](C)[C@@H](C[C@@H]1OC(C)(C)O[C@H](C(C)C)[C@H]1C)O[SiH](C/C=C\C)C/C=C\C
• InChI: InChI=1S/C24H44O3Si/c1-10-13-15-28(16-14-11-2)27-21(19(6)12-3)17-22-20(7)23(18(4)5)26-24(8,9)25-22/h10-14,18-23,28H,3,15-17H2,1-2,4-9H3/b13-10-,14-11-/t19-,20-,21+,22-,23+/m0/s1
• InChIKey: LULGNSYFPPHDOB-XHEUYWEDSA-N
• XLogP: 6.27
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.70
LogP ≤ 5	6.27
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 bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?

The IUPAC name of bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane (CID 135070779) is bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane.

What is the SMILES notation for bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?

The canonical SMILES for bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane is C=C[C@H](C)[C@@H](C[C@@H]1OC(C)(C)O[C@H](C(C)C)[C@H]1C)O[SiH](C/C=C\C)C/C=C\C.

What is the InChIKey of bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?

The InChIKey is LULGNSYFPPHDOB-XHEUYWEDSA-N. The full InChI is InChI=1S/C24H44O3Si/c1-10-13-15-28(16-14-11-2)27-21(19(6)12-3)17-22-20(7)23(18(4)5)26-24(8,9)25-22/h10-14,18-23,28H,3,15-17H2,1-2,4-9H3/b13-10-,14-11-/t19-,20-,21+,22-,23+/m0/s1.

What are the key properties of bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?

bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane has a molecular weight of 408.70 g/mol, XLogP of 6.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane is sourced from PubChem (CID 135070779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).