tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane

C13H27IOSi — CID 10713094

IUPACtert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](CCC/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h9,11-12H,7-8,10H2,1-6H3/b11-9+/t12-/m0/s1
InChIKeyCRZFNAQUUJHPDX-ZKQHCESOSA-N
MW354.35 g/mol
LogP5.52
Rot. Bonds6

About tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane (PubChem CID 10713094) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane
PubChem CID10713094
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](CCC/C=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h9,11-12H,7-8,10H2,1-6H3/b11-9+/t12-/m0/s1
InChIKeyCRZFNAQUUJHPDX-ZKQHCESOSA-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)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
Tert-butyl-hex-5-enyloxy-dimethyl-silane
CID 11085343
(4e)-1-t-Butyldimethylsilyloxy-5-iodopent-4-ene
CID 11186422
Silane, (1,1-dimethylethyl)(1-ethenylbutoxy)dimethyl-
CID 11206678
tert-butyl-[(Z)-5-iodopent-4-enoxy]-dimethylsilane
CID 16680062
3-t-Butyldimethylsiloxy-1-iodo-trans-1-octene
CID 10948597
(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
CID 11111369
tert-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664
tert-butyl-[(4R)-hept-1-en-4-yl]oxy-dimethylsilane
CID 17748151
Tert-butyl-dimethyl-oct-1-en-4-yloxysilane
CID 21528007
(E)-tert-Butyl((7-iodohept-6-en-1-yl)oxy)dimethylsilane
CID 60147005
tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane
CID 22768576

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane (CID 10713094) is tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane is C[C@@H](CCC/C=C/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane?
The InChIKey is CRZFNAQUUJHPDX-ZKQHCESOSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h9,11-12H,7-8,10H2,1-6H3/b11-9+/t12-/m0/s1.
What are the key properties of tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-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,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10713094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).