tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane

C16H31IOSi — CID 134890597

IUPACtert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane
SMILESC=CCC(C)(C)C/C(I)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31IOSi/c1-9-11-16(5,6)13-14(17)10-12-18-19(7,8)15(2,3)4/h9-10H,1,11-13H2,2-8H3/b14-10+
InChIKeyHZQTUQAHOIKVTC-GXDHUFHOSA-N
MW394.41 g/mol
LogP6.32
Rot. Bonds7

About tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane

tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane (PubChem CID 134890597) has the molecular formula C16H31IOSi and a molecular weight of 394.41 g/mol. Its IUPAC name is tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane
PubChem CID134890597
Molecular FormulaC16H31IOSi
Molecular Weight394.41 g/mol
Exact Mass394.12
IUPAC Nametert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane
SMILESC=CCC(C)(C)C/C(I)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31IOSi/c1-9-11-16(5,6)13-14(17)10-12-18-19(7,8)15(2,3)4/h9-10H,1,11-13H2,2-8H3/b14-10+
InChIKeyHZQTUQAHOIKVTC-GXDHUFHOSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 56.32
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'}

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Related Compounds

tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
CID 10937764
tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane
CID 134897780
tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane
CID 14962062
tert-butyl-[(E)-6-iodohex-2-enoxy]-dimethylsilane
CID 14962063
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
Tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
(1-Iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 173303042
tert-butyl-[(Z)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane
CID 10005922
tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane
CID 10391014
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-[(E)-6-iodo-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10619012

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane (CID 134890597) is tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane is C=CCC(C)(C)C/C(I)=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane?
The InChIKey is HZQTUQAHOIKVTC-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H31IOSi/c1-9-11-16(5,6)13-14(17)10-12-18-19(7,8)15(2,3)4/h9-10H,1,11-13H2,2-8H3/b14-10+.
What are the key properties of tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane?
tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane has a molecular weight of 394.41 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane is sourced from PubChem (CID 134890597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).