(2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol

C23H42O2Si — CID 10068249

About (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol

(2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol (PubChem CID 10068249) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol.

Molecular Properties

• Compound Name: (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol
• PubChem CID: 10068249
• Molecular Formula: C23H42O2Si
• Molecular Weight: 378.67 g/mol
• Exact Mass: 378.30
• IUPAC Name: (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol
• SMILES: C/C(=C\CO)CC/C=C(\CC/C=C(\C)CC[C@@H]1OC1(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C23H42O2Si/c1-19(14-15-22-23(3,4)25-22)10-8-12-21(18-26(5,6)7)13-9-11-20(2)16-17-24/h10,13,16,22,24H,8-9,11-12,14-15,17-18H2,1-7H3/b19-10+,20-16+,21-13+/t22-/m0/s1
• InChIKey: QCVFZGAPRKLTCW-AGKJJYEVSA-N
• XLogP: 6.65
• TPSA: 32.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.67
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol?

The IUPAC name of (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol (CID 10068249) is (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol.

What is the SMILES notation for (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol?

The canonical SMILES for (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol is C/C(=C\CO)CC/C=C(\CC/C=C(\C)CC[C@@H]1OC1(C)C)C[Si](C)(C)C.

What is the InChIKey of (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol?

The InChIKey is QCVFZGAPRKLTCW-AGKJJYEVSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-19(14-15-22-23(3,4)25-22)10-8-12-21(18-26(5,6)7)13-9-11-20(2)16-17-24/h10,13,16,22,24H,8-9,11-12,14-15,17-18H2,1-7H3/b19-10+,20-16+,21-13+/t22-/m0/s1.

What are the key properties of (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol?

(2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol has a molecular weight of 378.67 g/mol, XLogP of 6.65, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol is sourced from PubChem (CID 10068249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).