tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane

C15H31IOSi — CID 59972081

IUPACtert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCCC[C@H](C)CC(/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IOSi/c1-8-9-13(2)12-14(10-11-16)17-18(6,7)15(3,4)5/h10-11,13-14H,8-9,12H2,1-7H3/b11-10+/t13-,14?/m0/s1
InChIKeyXPKFEYHEPDZGHY-FSCOPUGXSA-N
MW382.40 g/mol
LogP6.15
Rot. Bonds7

About tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 59972081) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane
PubChem CID59972081
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Nametert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCCC[C@H](C)CC(/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IOSi/c1-8-9-13(2)12-14(10-11-16)17-18(6,7)15(3,4)5/h10-11,13-14H,8-9,12H2,1-7H3/b11-10+/t13-,14?/m0/s1
InChIKeyXPKFEYHEPDZGHY-FSCOPUGXSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 56.15
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

Silane, (1,1-dimethylethyl)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
3-t-Butyldimethylsiloxy-1-iodo-trans-1-octene
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(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
CID 11111369
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane
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tert-butyl-dimethyl-[(3R)-7-methyloct-1-en-3-yl]oxysilane
CID 46192661
tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
CID 46197624
tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane
CID 56595473
tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane
CID 72737464
tert-Butyldimethyl[((3R,4R)-4-methyloct-7-en-3-yl)oxy]silan
CID 129889231
tert-butyl-[(1Z,3S)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 134898148
1-Cyclohexylprop-2-enoxy-dimethyl-prop-2-enylsilane
CID 135083685

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane (CID 59972081) is tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane is CCC[C@H](C)CC(/C=C/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is XPKFEYHEPDZGHY-FSCOPUGXSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-8-9-13(2)12-14(10-11-16)17-18(6,7)15(3,4)5/h10-11,13-14H,8-9,12H2,1-7H3/b11-10+/t13-,14?/m0/s1.
What are the key properties of tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 382.40 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 59972081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).