(4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid

C19H34O3Si — CID 134946257

About (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid

(4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid (PubChem CID 134946257) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid.

Molecular Properties

• Compound Name: (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid
• PubChem CID: 134946257
• Molecular Formula: C19H34O3Si
• Molecular Weight: 338.56 g/mol
• Exact Mass: 338.23
• IUPAC Name: (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid
• SMILES: CC/C=C\C/C=C/C(/C=C\CO[Si](C)(C)C(C)(C)C)CC(=O)O
• InChI: InChI=1S/C19H34O3Si/c1-7-8-9-10-11-13-17(16-18(20)21)14-12-15-22-23(5,6)19(2,3)4/h8-9,11-14,17H,7,10,15-16H2,1-6H3,(H,20,21)/b9-8-,13-11+,14-12-
• InChIKey: LRJMZRZAPIIDOO-FAJTYDSQSA-N
• XLogP: 5.57
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.56
LogP ≤ 5	5.57
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'}

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid?

The IUPAC name of (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid (CID 134946257) is (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid.

What is the SMILES notation for (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid?

The canonical SMILES for (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid is CC/C=C\C/C=C/C(/C=C\CO[Si](C)(C)C(C)(C)C)CC(=O)O.

What is the InChIKey of (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid?

The InChIKey is LRJMZRZAPIIDOO-FAJTYDSQSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-7-8-9-10-11-13-17(16-18(20)21)14-12-15-22-23(5,6)19(2,3)4/h8-9,11-14,17H,7,10,15-16H2,1-6H3,(H,20,21)/b9-8-,13-11+,14-12-.

What are the key properties of (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid?

(4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid has a molecular weight of 338.56 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,7Z)-3-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]deca-4,7-dienoic acid is sourced from PubChem (CID 134946257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).