trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane

C20H38O2Si — CID 101266056

About trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane

trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane (PubChem CID 101266056) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane
• PubChem CID: 101266056
• Molecular Formula: C20H38O2Si
• Molecular Weight: 338.61 g/mol
• Exact Mass: 338.26
• IUPAC Name: trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane
• SMILES: C=C(C[C@H]1CCO[C@@H](/C=C/CCCCCCC)O1)C[Si](C)(C)C
• InChI: InChI=1S/C20H38O2Si/c1-6-7-8-9-10-11-12-13-20-21-15-14-19(22-20)16-18(2)17-23(3,4)5/h12-13,19-20H,2,6-11,14-17H2,1,3-5H3/b13-12+/t19-,20-/m1/s1
• InChIKey: QMJFAUKRZAIHHW-OKLSWEBGSA-N
• XLogP: 6.32
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.61
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane?

The IUPAC name of trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane (CID 101266056) is trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane.

What is the SMILES notation for trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane?

The canonical SMILES for trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane is C=C(C[C@H]1CCO[C@@H](/C=C/CCCCCCC)O1)C[Si](C)(C)C.

What is the InChIKey of trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane?

The InChIKey is QMJFAUKRZAIHHW-OKLSWEBGSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-6-7-8-9-10-11-12-13-20-21-15-14-19(22-20)16-18(2)17-23(3,4)5/h12-13,19-20H,2,6-11,14-17H2,1,3-5H3/b13-12+/t19-,20-/m1/s1.

What are the key properties of trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane?

trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane has a molecular weight of 338.61 g/mol, XLogP of 6.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane is sourced from PubChem (CID 101266056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).