tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane

C13H27IOSi — CID 135022885

IUPACtert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane
SMILESC/C(=C\I)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-12(11-14)9-7-8-10-15-16(5,6)13(2,3)4/h11H,7-10H2,1-6H3/b12-11+
InChIKeyDLNUSRSBMORVOX-VAWYXSNFSA-N
MW354.35 g/mol
LogP5.52
Rot. Bonds6

About tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane

tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane (PubChem CID 135022885) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane
PubChem CID135022885
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane
SMILESC/C(=C\I)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-12(11-14)9-7-8-10-15-16(5,6)13(2,3)4/h11H,7-10H2,1-6H3/b12-11+
InChIKeyDLNUSRSBMORVOX-VAWYXSNFSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1,1-dimethylethyl)(((3E)-4-iodo-3-methyl-3-buten-1-yl)oxy)dimethyl-
CID 6443108
Tert-butyl(dimethyl)[(4-methyl-4-pentenyl)oxy]silane
CID 13818153
(E)-tert-Butyl((7-iodohept-6-en-1-yl)oxy)dimethylsilane
CID 60147005
tert-butyl-[(E)-5-iodo-4-methylpent-4-enoxy]-dimethylsilane
CID 10359885
tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane
CID 10713094
tert-butyl-[(E)-6-iodohex-5-enoxy]-dimethylsilane
CID 10893166
(1,1-Dimethylethyl)(6-hepten-1-yloxy)dimethylsilane
CID 15198362
tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
CID 24865147
tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
CID 46197624
Tert-butyl-(4-iodo-2-methylidenebutoxy)-dimethylsilane
CID 57326522
tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane
CID 72737464
Tert-butyl-(6-iodohex-5-enoxy)-dimethylsilane
CID 72975233

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane (CID 135022885) is tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane is C/C(=C\I)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane?
The InChIKey is DLNUSRSBMORVOX-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-12(11-14)9-7-8-10-15-16(5,6)13(2,3)4/h11H,7-10H2,1-6H3/b12-11+.
What are the key properties of tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 135022885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).