ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane

C12H21IOSi — CID 101161624

IUPACethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane
SMILESC=CCC(CC/C=C\I)O[Si](C)(C)C=C
InChIInChI=1S/C12H21IOSi/c1-5-9-12(10-7-8-11-13)14-15(3,4)6-2/h5-6,8,11-12H,1-2,7,9-10H2,3-4H3/b11-8-
InChIKeyPOUIQUXNQPPXAA-FLIBITNWSA-N
MW336.29 g/mol
LogP4.61
Rot. Bonds8

About ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane

ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane (PubChem CID 101161624) has the molecular formula C12H21IOSi and a molecular weight of 336.29 g/mol. Its IUPAC name is ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nameethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane
PubChem CID101161624
Molecular FormulaC12H21IOSi
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Nameethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane
SMILESC=CCC(CC/C=C\I)O[Si](C)(C)C=C
InChIInChI=1S/C12H21IOSi/c1-5-9-12(10-7-8-11-13)14-15(3,4)6-2/h5-6,8,11-12H,1-2,7,9-10H2,3-4H3/b11-8-
InChIKeyPOUIQUXNQPPXAA-FLIBITNWSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.61
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane?
The IUPAC name of ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane (CID 101161624) is ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane?
The canonical SMILES for ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane is C=CCC(CC/C=C\I)O[Si](C)(C)C=C.
What is the InChIKey of ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane?
The InChIKey is POUIQUXNQPPXAA-FLIBITNWSA-N. The full InChI is InChI=1S/C12H21IOSi/c1-5-9-12(10-7-8-11-13)14-15(3,4)6-2/h5-6,8,11-12H,1-2,7,9-10H2,3-4H3/b11-8-.
What are the key properties of ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane?
ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane has a molecular weight of 336.29 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 101161624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).