tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide

C20H38O5Si — CID 158929573

About tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide

tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide (PubChem CID 158929573) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide.

Molecular Properties

• Compound Name: tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide
• PubChem CID: 158929573
• Molecular Formula: C20H38O5Si
• Molecular Weight: 386.61 g/mol
• Exact Mass: 386.25
• IUPAC Name: tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide
• SMILES: CC/C=C\C=C\[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC.O=C=O
• InChI: InChI=1S/C19H38O3Si.CO2/c1-9-10-11-12-13-18(21-16-20-6)15-14-17(2)22-23(7,8)19(3,4)5;2-1-3/h10-13,17-18H,9,14-16H2,1-8H3;/b11-10-,13-12+;/t17-,18+;/m1./s1
• InChIKey: JIWLZPPKASXPRQ-CHYLEQMUSA-N
• XLogP: 5.10
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.61
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide?

The IUPAC name of tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide (CID 158929573) is tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide.

What is the SMILES notation for tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide?

The canonical SMILES for tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide is CC/C=C\C=C\[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC.O=C=O.

What is the InChIKey of tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide?

The InChIKey is JIWLZPPKASXPRQ-CHYLEQMUSA-N. The full InChI is InChI=1S/C19H38O3Si.CO2/c1-9-10-11-12-13-18(21-16-20-6)15-14-17(2)22-23(7,8)19(3,4)5;2-1-3/h10-13,17-18H,9,14-16H2,1-8H3;/b11-10-,13-12+;/t17-,18+;/m1./s1.

What are the key properties of tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide?

tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide has a molecular weight of 386.61 g/mol, XLogP of 5.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide is sourced from PubChem (CID 158929573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).