4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane

C14H25IOSi — CID 13039190

IUPAC4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane
SMILESC=C=CC(C/C=C/I)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H25IOSi/c1-6-8-11-14(10-7-2,12-9-13-15)16-17(3,4)5/h9-10,13H,2,6,8,11-12H2,1,3-5H3/b13-9+
InChIKeyOQKYSNARQOPBFY-UKTHLTGXSA-N
MW364.34 g/mol
LogP5.45
Rot. Bonds8

About 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane

4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane (PubChem CID 13039190) has the molecular formula C14H25IOSi and a molecular weight of 364.34 g/mol. Its IUPAC name is 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane.

Molecular Properties

Compound Name4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane
PubChem CID13039190
Molecular FormulaC14H25IOSi
Molecular Weight364.34 g/mol
Exact Mass364.07
IUPAC Name4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane
SMILESC=C=CC(C/C=C/I)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H25IOSi/c1-6-8-11-14(10-7-2,12-9-13-15)16-17(3,4)5/h9-10,13H,2,6,8,11-12H2,1,3-5H3/b13-9+
InChIKeyOQKYSNARQOPBFY-UKTHLTGXSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.34
LogP ≤ 55.45
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'}

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Related Compounds

CID 170852898
CID 170852898
triethyl-[(E)-1-iodo-4-methyloct-1-en-4-yl]oxysilane
CID 10959911
Tributyl((1E)-4-methyl-4-((trimethylsilyl)oxy)-1-octen-1-yl)stannane
CID 12893763
Trimethyl{[4-methyl-1-(tributylstannyl)oct-1-en-4-yl]oxy}silane
CID 53426864
(6-Iodo-3,7-dimethyloct-1-en-3-yl)oxy-trimethylsilane
CID 13976678
4-(1-Fluoroethenyl)oct-1-en-4-yloxy-trimethylsilane
CID 20563753
1-Iodo-4-methyl-4-[(trimethylsilyl)oxy]-1E-octene
CID 12786200
[(E,4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane
CID 12786201
[(E,4R)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane
CID 12786202
E-4-Methyl-5-methylene-4-trimethylsilyloxy-1-tri-n-butylstannyl-1-octene
CID 12786205
4-Trimethylsiloxy-4-vinyl-1-iodo-trans-1-octene
CID 12851283
[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane
CID 12866485

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane?
The IUPAC name of 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane (CID 13039190) is 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane.
What is the SMILES notation for 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane?
The canonical SMILES for 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane is C=C=CC(C/C=C/I)(CCCC)O[Si](C)(C)C.
What is the InChIKey of 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane?
The InChIKey is OQKYSNARQOPBFY-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25IOSi/c1-6-8-11-14(10-7-2,12-9-13-15)16-17(3,4)5/h9-10,13H,2,6,8,11-12H2,1,3-5H3/b13-9+.
What are the key properties of 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane?
4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane has a molecular weight of 364.34 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-iodoprop-2-enyl]octa-1,2-dien-4-yloxy-trimethylsilane is sourced from PubChem (CID 13039190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).