tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane

C14H25IOSi — CID 101499760

IUPACtert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](/C=C/CC#CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25IOSi/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h9,11,13H,7-8H2,1-6H3/b11-9+/t13-/m0/s1
InChIKeyWXULVEABWWKOBH-STRFDMGBSA-N
MW364.34 g/mol
LogP5.13
Rot. Bonds5

About tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane (PubChem CID 101499760) has the molecular formula C14H25IOSi and a molecular weight of 364.34 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane
PubChem CID101499760
Molecular FormulaC14H25IOSi
Molecular Weight364.34 g/mol
Exact Mass364.07
IUPAC Nametert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](/C=C/CC#CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25IOSi/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h9,11,13H,7-8H2,1-6H3/b11-9+/t13-/m0/s1
InChIKeyWXULVEABWWKOBH-STRFDMGBSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.34
LogP ≤ 55.13
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
CID 11035195
tert-butyl-dimethyl-[(3S,4Z)-nona-4,8-dien-3-yl]oxysilane
CID 11379815
ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
CID 11651729
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
Tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
CID 57332464
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol
CID 134898090
[(3S,4E,8E,12E)-13-iodo-5,9,12-trimethyltrideca-4,8,12-trien-1-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 134940739
Tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane
CID 135076800
tert-butyl-[(Z)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 135085788

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane (CID 101499760) is tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane is CC[C@@H](/C=C/CC#CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane?
The InChIKey is WXULVEABWWKOBH-STRFDMGBSA-N. The full InChI is InChI=1S/C14H25IOSi/c1-7-13(11-9-8-10-12-15)16-17(5,6)14(2,3)4/h9,11,13H,7-8H2,1-6H3/b11-9+/t13-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane has a molecular weight of 364.34 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 101499760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).