tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane

C12H25IOSi — CID 14962062

IUPACtert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C\CCCI
InChIInChI=1S/C12H25IOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9H,6,8,10-11H2,1-5H3/b9-7-
InChIKeyKKFHVFZKVZOACY-CLFYSBASSA-N
MW340.32 g/mol
LogP4.78
Rot. Bonds6

About tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane

tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane (PubChem CID 14962062) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane
PubChem CID14962062
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Nametert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C\CCCI
InChIInChI=1S/C12H25IOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9H,6,8,10-11H2,1-5H3/b9-7-
InChIKeyKKFHVFZKVZOACY-CLFYSBASSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
(4e)-1-t-Butyldimethylsilyloxy-5-iodopent-4-ene
CID 11186422
tert-butyl-[(Z)-5-iodopent-4-enoxy]-dimethylsilane
CID 16680062
Silane, trimethyl(2-pentenyloxy)-, (Z)-
CID 58534801
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-butyl-[(2E,4Z)-5-iodo-3-methylpenta-2,4-dienoxy]-dimethylsilane
CID 11782710
tert-butyl-[(Z)-hex-4-enoxy]-dimethylsilane
CID 162397527
O-tert-Butyldimethylsilyl-3-iodo-(2E)-buten-1-ol
CID 11001446
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane (CID 14962062) is tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C\CCCI.
What is the InChIKey of tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane?
The InChIKey is KKFHVFZKVZOACY-CLFYSBASSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h7,9H,6,8,10-11H2,1-5H3/b9-7-.
What are the key properties of tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane?
tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-6-iodohex-2-enoxy]-dimethylsilane is sourced from PubChem (CID 14962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).