[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane

C23H42O3Si — CID 134887512

About [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane

[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane (PubChem CID 134887512) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
• PubChem CID: 134887512
• Molecular Formula: C23H42O3Si
• Molecular Weight: 394.67 g/mol
• Exact Mass: 394.29
• IUPAC Name: [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
• SMILES: CCC/C=C/C=C/C=C(\C)[C@H]1OC[C@@H](C)[C@@H](OC)[C@@H]1O[Si](CC)(CC)CC
• InChI: InChI=1S/C23H42O3Si/c1-8-12-13-14-15-16-17-19(5)22-23(21(24-7)20(6)18-25-22)26-27(9-2,10-3)11-4/h13-17,20-23H,8-12,18H2,1-7H3/b14-13+,16-15+,19-17+/t20-,21-,22-,23+/m1/s1
• InChIKey: JPRYKFMJXFGXCU-GCECEZHOSA-N
• XLogP: 6.29
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.67
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane?

The IUPAC name of [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane (CID 134887512) is [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane.

What is the SMILES notation for [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane?

The canonical SMILES for [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane is CCC/C=C/C=C/C=C(\C)[C@H]1OC[C@@H](C)[C@@H](OC)[C@@H]1O[Si](CC)(CC)CC.

What is the InChIKey of [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane?

The InChIKey is JPRYKFMJXFGXCU-GCECEZHOSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-8-12-13-14-15-16-17-19(5)22-23(21(24-7)20(6)18-25-22)26-27(9-2,10-3)11-4/h13-17,20-23H,8-12,18H2,1-7H3/b14-13+,16-15+,19-17+/t20-,21-,22-,23+/m1/s1.

What are the key properties of [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane?

[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane has a molecular weight of 394.67 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane is sourced from PubChem (CID 134887512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).