tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane

C16H28O2Si — CID 135047954

IUPACtert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane
SMILESC/C=C/C=C/COCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-7-8-9-10-13-17-14-11-12-15-18-19(5,6)16(2,3)4/h7-10H,13-15H2,1-6H3/b8-7+,10-9+
InChIKeyQWAUHHAARCPXMR-XBLVEGMJSA-N
MW280.48 g/mol
LogP4.16
Rot. Bonds6

About tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane

tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane (PubChem CID 135047954) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane
PubChem CID135047954
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nametert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane
SMILESC/C=C/C=C/COCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-7-8-9-10-13-17-14-11-12-15-18-19(5,6)16(2,3)4/h7-10H,13-15H2,1-6H3/b8-7+,10-9+
InChIKeyQWAUHHAARCPXMR-XBLVEGMJSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane (CID 135047954) is tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane is C/C=C/C=C/COCC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane?
The InChIKey is QWAUHHAARCPXMR-XBLVEGMJSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-7-8-9-10-13-17-14-11-12-15-18-19(5,6)16(2,3)4/h7-10H,13-15H2,1-6H3/b8-7+,10-9+.
What are the key properties of tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane?
tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane has a molecular weight of 280.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 135047954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).