(2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal

C19H32O2Si — CID 139255884

About (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal

(2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal (PubChem CID 139255884) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal.

Molecular Properties

• Compound Name: (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal
• PubChem CID: 139255884
• Molecular Formula: C19H32O2Si
• Molecular Weight: 320.55 g/mol
• Exact Mass: 320.22
• IUPAC Name: (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal
• SMILES: C=C/C=C(\C)C/C(C)=C/C[C@H](O[Si](C)(C)C)[C@@H](C)/C=C/C=O
• InChI: InChI=1S/C19H32O2Si/c1-8-10-16(2)15-17(3)12-13-19(21-22(5,6)7)18(4)11-9-14-20/h8-12,14,18-19H,1,13,15H2,2-7H3/b11-9+,16-10+,17-12+/t18-,19-/m0/s1
• InChIKey: YRMBGVDQZMNVIO-FDBJXKBSSA-N
• XLogP: 5.46
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	320.55
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?

The IUPAC name of (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal (CID 139255884) is (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal.

What is the SMILES notation for (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?

The canonical SMILES for (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal is C=C/C=C(\C)C/C(C)=C/C[C@H](O[Si](C)(C)C)[C@@H](C)/C=C/C=O.

What is the InChIKey of (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?

The InChIKey is YRMBGVDQZMNVIO-FDBJXKBSSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-10-16(2)15-17(3)12-13-19(21-22(5,6)7)18(4)11-9-14-20/h8-12,14,18-19H,1,13,15H2,2-7H3/b11-9+,16-10+,17-12+/t18-,19-/m0/s1.

What are the key properties of (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?

(2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal has a molecular weight of 320.55 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4S,5S,7E,10E)-4,8,10-trimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal is sourced from PubChem (CID 139255884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).