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

C13H27IOSi — CID 87999521

IUPACtert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](/C=C/CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-12(10-8-9-11-14)15-16(5,6)13(2,3)4/h8,10,12H,7,9,11H2,1-6H3/b10-8+/t12-/m0/s1
InChIKeyUBQNTWRPDVPJHS-OANVXVOSSA-N
MW354.35 g/mol
LogP5.17
Rot. Bonds6

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

tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane (PubChem CID 87999521) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
PubChem CID87999521
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](/C=C/CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-12(10-8-9-11-14)15-16(5,6)13(2,3)4/h8,10,12H,7,9,11H2,1-6H3/b10-8+/t12-/m0/s1
InChIKeyUBQNTWRPDVPJHS-OANVXVOSSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane
CID 90772091
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
tert-butyl-[(E,1S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-iodoethenyl]non-5-en-3-ynoxy]-dimethylsilane
CID 122400653
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 174411016
11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
CID 173373978
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane (CID 87999521) is tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane is CC[C@@H](/C=C/CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane?
The InChIKey is UBQNTWRPDVPJHS-OANVXVOSSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-7-12(10-8-9-11-14)15-16(5,6)13(2,3)4/h8,10,12H,7,9,11H2,1-6H3/b10-8+/t12-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 87999521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).