tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane

C17H31IOSi2 — CID 58461593

IUPACtert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/C=C/I)CC#C[Si](C)(C)C
InChIInChI=1S/C17H31IOSi2/c1-17(2,3)21(7,8)19-16(12-9-10-14-18)13-11-15-20(4,5)6/h9-10,12,14,16H,13H2,1-8H3/b12-9+,14-10+/t16-/m0/s1
InChIKeyZYRAVOBQWIPVRU-VBDKHZPGSA-N
MW434.51 g/mol
LogP6.15
Rot. Bonds5

About tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 58461593) has the molecular formula C17H31IOSi2 and a molecular weight of 434.51 g/mol. Its IUPAC name is tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane
PubChem CID58461593
Molecular FormulaC17H31IOSi2
Molecular Weight434.51 g/mol
Exact Mass434.10
IUPAC Nametert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/C=C/I)CC#C[Si](C)(C)C
InChIInChI=1S/C17H31IOSi2/c1-17(2,3)21(7,8)19-16(12-9-10-14-18)13-11-15-20(4,5)6/h9-10,12,14,16H,13H2,1-8H3/b12-9+,14-10+/t16-/m0/s1
InChIKeyZYRAVOBQWIPVRU-VBDKHZPGSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane (CID 58461593) is tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H](/C=C/C=C/I)CC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is ZYRAVOBQWIPVRU-VBDKHZPGSA-N. The full InChI is InChI=1S/C17H31IOSi2/c1-17(2,3)21(7,8)19-16(12-9-10-14-18)13-11-15-20(4,5)6/h9-10,12,14,16H,13H2,1-8H3/b12-9+,14-10+/t16-/m0/s1.
What are the key properties of tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 434.51 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 58461593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).