tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane

C25H44O2Si — CID 11486537

About tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane (PubChem CID 11486537) has the molecular formula C25H44O2Si and a molecular weight of 404.71 g/mol. Its IUPAC name is tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane
• PubChem CID: 11486537
• Molecular Formula: C25H44O2Si
• Molecular Weight: 404.71 g/mol
• Exact Mass: 404.31
• IUPAC Name: tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane
• SMILES: C=CC/C(CO[Si](C)(C)C(C)(C)C)=C(\CC=C)C(CC(C(=C)C)=C(C)C)OC
• InChI: InChI=1S/C25H44O2Si/c1-13-15-21(18-27-28(11,12)25(7,8)9)22(16-14-2)24(26-10)17-23(19(3)4)20(5)6/h13-14,24H,1-3,15-18H2,4-12H3/b22-21-
• InChIKey: RAQAOECCWPWNNX-DQRAZIAOSA-N
• XLogP: 7.77
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.71
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
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': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane (CID 11486537) is tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane is C=CC/C(CO[Si](C)(C)C(C)(C)C)=C(\CC=C)C(CC(C(=C)C)=C(C)C)OC.

What is the InChIKey of tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane?

The InChIKey is RAQAOECCWPWNNX-DQRAZIAOSA-N. The full InChI is InChI=1S/C25H44O2Si/c1-13-15-21(18-27-28(11,12)25(7,8)9)22(16-14-2)24(26-10)17-23(19(3)4)20(5)6/h13-14,24H,1-3,15-18H2,4-12H3/b22-21-.

What are the key properties of tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane?

tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane has a molecular weight of 404.71 g/mol, XLogP of 7.77, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2Z)-4-methoxy-7-methyl-6-prop-1-en-2-yl-2,3-bis(prop-2-enyl)octa-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 11486537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).