(1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane

C14H27IOSi — CID 54544960

IUPAC(1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane
SMILESC=CCC(CC=CI)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-6-8-11-14(10-7-2,12-9-13-15)16-17(3,4)5/h7,9,13H,2,6,8,10-12H2,1,3-5H3
InChIKeyZFWLIOLVVBBGNR-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.68
Rot. Bonds9

About (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane

(1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane (PubChem CID 54544960) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane
PubChem CID54544960
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name(1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane
SMILESC=CCC(CC=CI)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-6-8-11-14(10-7-2,12-9-13-15)16-17(3,4)5/h7,9,13H,2,6,8,10-12H2,1,3-5H3
InChIKeyZFWLIOLVVBBGNR-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.68
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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Related Compounds

triethyl-[(E)-1-iodo-4-methyloct-1-en-4-yl]oxysilane
CID 10959911
CID 170852898
CID 170852898
Trimethyl(2-methylhept-6-en-2-yloxy)silane
CID 134881030
4-(1-Fluoroethenyl)oct-1-en-4-yloxy-trimethylsilane
CID 20563753
triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
CID 11146006
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
4-Trimethylsiloxy-4-vinyl-1-iodo-trans-1-octene
CID 12851283
[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane
CID 12866485
Tributyl((1E)-4-methyl-4-((trimethylsilyl)oxy)-1-octen-1-yl)stannane
CID 12893763
trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
CID 12893764

Frequently Asked Questions

What is the IUPAC name of (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane?
The IUPAC name of (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane (CID 54544960) is (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane?
The canonical SMILES for (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane is C=CCC(CC=CI)(CCCC)O[Si](C)(C)C.
What is the InChIKey of (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane?
The InChIKey is ZFWLIOLVVBBGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-6-8-11-14(10-7-2,12-9-13-15)16-17(3,4)5/h7,9,13H,2,6,8,10-12H2,1,3-5H3.
What are the key properties of (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane?
(1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-4-prop-2-enyloct-1-en-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 54544960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).