tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane

C13H27IOSi — CID 56595473

IUPACtert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane
SMILESC=CC[C@@H](CI)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-8-12(11-14)9-10-15-16(5,6)13(2,3)4/h7,12H,1,8-11H2,2-6H3/t12-/m1/s1
InChIKeyGNUPDYKRKHTANN-GFCCVEGCSA-N
MW354.35 g/mol
LogP5.03
Rot. Bonds7

About tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane

tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane (PubChem CID 56595473) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane
PubChem CID56595473
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane
SMILESC=CC[C@@H](CI)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-8-12(11-14)9-10-15-16(5,6)13(2,3)4/h7,12H,1,8-11H2,2-6H3/t12-/m1/s1
InChIKeyGNUPDYKRKHTANN-GFCCVEGCSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.03
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-hex-5-enyloxy-dimethyl-silane
CID 11085343
(4e)-1-t-Butyldimethylsilyloxy-5-iodopent-4-ene
CID 11186422
tert-butyl-[(Z)-5-iodopent-4-enoxy]-dimethylsilane
CID 16680062
tert-butyl-dimethyl-[(2R)-2-methylpent-4-enoxy]silane
CID 11506762
tert-butyl-dimethyl-[(2S)-2-methylpent-4-enoxy]silane
CID 14038687
(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
tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
CID 24865147
[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane
CID 44604241
Tert-butyl-(6-iodohex-5-enoxy)-dimethylsilane
CID 72975233

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane (CID 56595473) is tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane is C=CC[C@@H](CI)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane?
The InChIKey is GNUPDYKRKHTANN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-7-8-12(11-14)9-10-15-16(5,6)13(2,3)4/h7,12H,1,8-11H2,2-6H3/t12-/m1/s1.
What are the key properties of tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane?
tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 56595473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).