[(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane

C15H31IO2Si2 — CID 90436647

IUPAC[(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane
SMILESC/C=C\C(=C(/C)I)[C@@H](O[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C
InChIInChI=1S/C15H31IO2Si2/c1-10-11-14(12(2)16)15(18-20(7,8)9)13(3)17-19(4,5)6/h10-11,13,15H,1-9H3/b11-10-,14-12-/t13-,15+/m1/s1
InChIKeyXHMMZAPZAYTKGA-XIAVSQISSA-N
MW426.49 g/mol
LogP5.73
Rot. Bonds7

About [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane

[(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane (PubChem CID 90436647) has the molecular formula C15H31IO2Si2 and a molecular weight of 426.49 g/mol. Its IUPAC name is [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane
PubChem CID90436647
Molecular FormulaC15H31IO2Si2
Molecular Weight426.49 g/mol
Exact Mass426.09
IUPAC Name[(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane
SMILESC/C=C\C(=C(/C)I)[C@@H](O[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C
InChIInChI=1S/C15H31IO2Si2/c1-10-11-14(12(2)16)15(18-20(7,8)9)13(3)17-19(4,5)6/h10-11,13,15H,1-9H3/b11-10-,14-12-/t13-,15+/m1/s1
InChIKeyXHMMZAPZAYTKGA-XIAVSQISSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane (CID 90436647) is [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane is C/C=C\C(=C(/C)I)[C@@H](O[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C.
What is the InChIKey of [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane?
The InChIKey is XHMMZAPZAYTKGA-XIAVSQISSA-N. The full InChI is InChI=1S/C15H31IO2Si2/c1-10-11-14(12(2)16)15(18-20(7,8)9)13(3)17-19(4,5)6/h10-11,13,15H,1-9H3/b11-10-,14-12-/t13-,15+/m1/s1.
What are the key properties of [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane?
[(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane has a molecular weight of 426.49 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R,3R,4Z)-4-(1-iodoethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 90436647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).