tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane

C19H39IO2Si — CID 86053175

IUPACtert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane
SMILESC=CCC(CCC(I)CCCCCC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39IO2Si/c1-8-10-11-12-14-17(20)15-16-18(13-9-2)21-22-23(6,7)19(3,4)5/h9,17-18H,2,8,10-16H2,1,3-7H3
InChIKeyAXLBARWDSFWTDN-UHFFFAOYSA-N
MW454.51 g/mol
LogP7.44
Rot. Bonds13

About tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane

tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane (PubChem CID 86053175) has the molecular formula C19H39IO2Si and a molecular weight of 454.51 g/mol. Its IUPAC name is tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane
PubChem CID86053175
Molecular FormulaC19H39IO2Si
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Nametert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane
SMILESC=CCC(CCC(I)CCCCCC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39IO2Si/c1-8-10-11-12-14-17(20)15-16-18(13-9-2)21-22-23(6,7)19(3,4)5/h9,17-18H,2,8,10-16H2,1,3-7H3
InChIKeyAXLBARWDSFWTDN-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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

tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane
CID 102465931
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
4-ethenoxyundec-1-ene
CID 101420327
4-methoxynon-1-ene
CID 13284925
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
trimethyl-[(1R)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10827976
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane (CID 86053175) is tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane is C=CCC(CCC(I)CCCCCC)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane?
The InChIKey is AXLBARWDSFWTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39IO2Si/c1-8-10-11-12-14-17(20)15-16-18(13-9-2)21-22-23(6,7)19(3,4)5/h9,17-18H,2,8,10-16H2,1,3-7H3.
What are the key properties of tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane?
tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane has a molecular weight of 454.51 g/mol, XLogP of 7.44, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane is sourced from PubChem (CID 86053175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).