tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane

C13H27IOSi — CID 24865147

IUPACtert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
SMILESC/C(=C\I)[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-11(12(2)10-14)8-9-15-16(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3/b12-10+/t11-/m0/s1
InChIKeyPKYGVTJOKVVXDX-OCUQMRJBSA-N
MW354.35 g/mol
LogP5.37
Rot. Bonds5

About tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane

tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane (PubChem CID 24865147) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
PubChem CID24865147
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
SMILESC/C(=C\I)[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IOSi/c1-11(12(2)10-14)8-9-15-16(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3/b12-10+/t11-/m0/s1
InChIKeyPKYGVTJOKVVXDX-OCUQMRJBSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.37
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'}

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Related Compounds

Tert-butyl(dimethyl)[(4-methyl-4-pentenyl)oxy]silane
CID 13818153
tert-butyl-[(E)-5-iodo-4-methylpent-4-enoxy]-dimethylsilane
CID 10359885
tert-butyl-[(E)-6-iodohex-5-enoxy]-dimethylsilane
CID 10893166
[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane
CID 44604241
tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
CID 46197624
tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane
CID 56595473
Tert-butyl-(6-iodohex-5-enoxy)-dimethylsilane
CID 72975233
[5-Iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane
CID 117070056
Triethyl((4-methylpent-4-en-1-yl)oxy)silane
CID 132274627
Tert-butyl-(4-iodopent-4-enoxy)-dimethylsilane
CID 134998663
tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane
CID 135022885
tert-butyl-[(2R)-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 9991390

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane (CID 24865147) is tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane is C/C(=C\I)[C@@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane?
The InChIKey is PKYGVTJOKVVXDX-OCUQMRJBSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-11(12(2)10-14)8-9-15-16(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3/b12-10+/t11-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 24865147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).