[(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

C18H34O2Si — CID 11130720

About [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

[(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11130720) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 11130720
• Molecular Formula: C18H34O2Si
• Molecular Weight: 310.55 g/mol
• Exact Mass: 310.23
• IUPAC Name: [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
• SMILES: C/C=C/[C@@H]1OCC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
• InChI: InChI=1S/C18H34O2Si/c1-9-10-17-16(8)18(11-12-19-17)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-17H,12H2,1-8H3/b10-9+/t16-,17+/m1/s1
• InChIKey: QISRFASIFMWOAY-ZUQFGZKASA-N
• XLogP: 5.67
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	310.55
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (CID 11130720) is [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is C/C=C/[C@@H]1OCC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C.

What is the InChIKey of [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is QISRFASIFMWOAY-ZUQFGZKASA-N. The full InChI is InChI=1S/C18H34O2Si/c1-9-10-17-16(8)18(11-12-19-17)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-17H,12H2,1-8H3/b10-9+/t16-,17+/m1/s1.

What are the key properties of [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

[(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 310.55 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11130720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).