(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal

C29H60O4Si2 — CID 58762098

About (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal

(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal (PubChem CID 58762098) has the molecular formula C29H60O4Si2 and a molecular weight of 528.97 g/mol. Its IUPAC name is (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal.

Molecular Properties

• Compound Name: (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal
• PubChem CID: 58762098
• Molecular Formula: C29H60O4Si2
• Molecular Weight: 528.97 g/mol
• Exact Mass: 528.40
• IUPAC Name: (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal
• SMILES: COC(C)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\C=O
• InChI: InChI=1S/C29H60O4Si2/c1-21(18-17-19-30)26(32-34(13,14)28(6,7)8)22(2)20-23(3)27(24(4)25(5)31-12)33-35(15,16)29(9,10)11/h17-19,21-27H,20H2,1-16H3/b18-17-
• InChIKey: JDEIOZJUHQRZOJ-ZCXUNETKSA-N
• XLogP: 8.49
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.97
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal?

The IUPAC name of (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal (CID 58762098) is (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal.

What is the SMILES notation for (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal?

The canonical SMILES for (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal is COC(C)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)/C=C\C=O.

What is the InChIKey of (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal?

The InChIKey is JDEIOZJUHQRZOJ-ZCXUNETKSA-N. The full InChI is InChI=1S/C29H60O4Si2/c1-21(18-17-19-30)26(32-34(13,14)28(6,7)8)22(2)20-23(3)27(24(4)25(5)31-12)33-35(15,16)29(9,10)11/h17-19,21-27H,20H2,1-16H3/b18-17-.

What are the key properties of (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal?

(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal has a molecular weight of 528.97 g/mol, XLogP of 8.49, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal is sourced from PubChem (CID 58762098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).