tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane

C14H29IOSi — CID 10619012

IUPACtert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)C(C)CCI
InChIInChI=1S/C14H29IOSi/c1-12(8-10-15)13(2)9-11-16-17(6,7)14(3,4)5/h9,12H,8,10-11H2,1-7H3/b13-9+
InChIKeyLPUDMMGNIKOYLH-UKTHLTGXSA-N
MW368.38 g/mol
LogP5.42
Rot. Bonds6

About tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane

tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane (PubChem CID 10619012) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane
PubChem CID10619012
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Nametert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)C(C)CCI
InChIInChI=1S/C14H29IOSi/c1-12(8-10-15)13(2)9-11-16-17(6,7)14(3,4)5/h9,12H,8,10-11H2,1-7H3/b13-9+
InChIKeyLPUDMMGNIKOYLH-UKTHLTGXSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.42
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

tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
CID 10937764
tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
CID 71530233
tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane
CID 134890597
tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane
CID 14962062
tert-butyl-[(E)-6-iodohex-2-enoxy]-dimethylsilane
CID 14962063
tert-butyl-[(4E,8E)-1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl]oxy-dimethylsilane
CID 19705783
Tert-butyl-(1-iodo-5,9,13-trimethyltetradeca-4,8,12-trien-3-yl)oxy-dimethylsilane
CID 54265632
tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane
CID 10498305
tert-butyl-[(Z)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10546977
tert-butyl-[(2E,6E)-8-iodo-3,7-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10644330
[(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane
CID 10803999
tert-butyl-[(2E,6E)-8-iodoocta-2,6-dienoxy]-dimethylsilane
CID 10926637

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane (CID 10619012) is tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane is C/C(=C\CO[Si](C)(C)C(C)(C)C)C(C)CCI.
What is the InChIKey of tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane?
The InChIKey is LPUDMMGNIKOYLH-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-12(8-10-15)13(2)9-11-16-17(6,7)14(3,4)5/h9,12H,8,10-11H2,1-7H3/b13-9+.
What are the key properties of tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.42, 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-3,4-dimethylhex-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).