(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal

C30H52O4Si — CID 11341101

About (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal

(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal (PubChem CID 11341101) has the molecular formula C30H52O4Si and a molecular weight of 504.83 g/mol. Its IUPAC name is (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal.

Molecular Properties

• Compound Name: (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal
• PubChem CID: 11341101
• Molecular Formula: C30H52O4Si
• Molecular Weight: 504.83 g/mol
• Exact Mass: 504.36
• IUPAC Name: (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal
• SMILES: CC(C)[Si](O[C@H](C)CCC/C=C/C=C/[C@H]1C[C@H](C/C=C\C=C\C=O)OC(C)(C)O1)(C(C)C)C(C)C
• InChI: InChI=1S/C30H52O4Si/c1-24(2)35(25(3)4,26(5)6)34-27(7)19-15-11-10-12-16-20-28-23-29(33-30(8,9)32-28)21-17-13-14-18-22-31/h10,12-14,16-18,20,22,24-29H,11,15,19,21,23H2,1-9H3/b12-10+,17-13-,18-14+,20-16+/t27-,28+,29+/m1/s1
• InChIKey: WXYHSKCIBRXCOA-BMYFCQQJSA-N
• XLogP: 8.46
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.83
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal?

The IUPAC name of (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal (CID 11341101) is (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal.

What is the SMILES notation for (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal?

The canonical SMILES for (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal is CC(C)[Si](O[C@H](C)CCC/C=C/C=C/[C@H]1C[C@H](C/C=C\C=C\C=O)OC(C)(C)O1)(C(C)C)C(C)C.

What is the InChIKey of (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal?

The InChIKey is WXYHSKCIBRXCOA-BMYFCQQJSA-N. The full InChI is InChI=1S/C30H52O4Si/c1-24(2)35(25(3)4,26(5)6)34-27(7)19-15-11-10-12-16-20-28-23-29(33-30(8,9)32-28)21-17-13-14-18-22-31/h10,12-14,16-18,20,22,24-29H,11,15,19,21,23H2,1-9H3/b12-10+,17-13-,18-14+,20-16+/t27-,28+,29+/m1/s1.

What are the key properties of (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal?

(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal has a molecular weight of 504.83 g/mol, XLogP of 8.46, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal is sourced from PubChem (CID 11341101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).