(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione

C28H52O6Si2 — CID 138976732

About (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione

(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione (PubChem CID 138976732) has the molecular formula C28H52O6Si2 and a molecular weight of 540.89 g/mol. Its IUPAC name is (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione.

Molecular Properties

• Compound Name: (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
• PubChem CID: 138976732
• Molecular Formula: C28H52O6Si2
• Molecular Weight: 540.89 g/mol
• Exact Mass: 540.33
• IUPAC Name: (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
• SMILES: CC(C)(C)[Si](C)(C)OCC[C@@H]1CC/C=C/C(=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)CC/C=C/C(=O)O1
• InChI: InChI=1S/C28H52O6Si2/c1-27(2,3)35(7,8)31-21-19-23-15-11-13-18-26(30)34-24(16-12-14-17-25(29)33-23)20-22-32-36(9,10)28(4,5)6/h13-14,17-18,23-24H,11-12,15-16,19-22H2,1-10H3/b17-14+,18-13+/t23-,24-/m0/s1
• InChIKey: RTTBWMUQOJVHMJ-ZHGQLLPWSA-N
• XLogP: 7.32
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.89
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione?

The IUPAC name of (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione (CID 138976732) is (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione.

What is the SMILES notation for (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione?

The canonical SMILES for (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione is CC(C)(C)[Si](C)(C)OCC[C@@H]1CC/C=C/C(=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)CC/C=C/C(=O)O1.

What is the InChIKey of (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione?

The InChIKey is RTTBWMUQOJVHMJ-ZHGQLLPWSA-N. The full InChI is InChI=1S/C28H52O6Si2/c1-27(2,3)35(7,8)31-21-19-23-15-11-13-18-26(30)34-24(16-12-14-17-25(29)33-23)20-22-32-36(9,10)28(4,5)6/h13-14,17-18,23-24H,11-12,15-16,19-22H2,1-10H3/b17-14+,18-13+/t23-,24-/m0/s1.

What are the key properties of (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione?

(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione has a molecular weight of 540.89 g/mol, XLogP of 7.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione is sourced from PubChem (CID 138976732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).