tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane

C16H35IOSiSn — CID 99771839

IUPACtert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane
SMILESC=C([C@@H](CCCI)CO[Si](C)(C)C(C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C13H26IOSi.3CH3.Sn/c1-7-12(9-8-10-14)11-15-16(5,6)13(2,3)4;;;;/h12H,1,8-11H2,2-6H3;3*1H3;/t12-;;;;/m0..../s1
InChIKeyIHFPZTFNDJZLSW-KCOFNFEMSA-N
MW517.16 g/mol
LogP6.27
Rot. Bonds8

About tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane

tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane (PubChem CID 99771839) has the molecular formula C16H35IOSiSn and a molecular weight of 517.16 g/mol. Its IUPAC name is tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane
PubChem CID99771839
Molecular FormulaC16H35IOSiSn
Molecular Weight517.16 g/mol
Exact Mass518.05
IUPAC Nametert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane
SMILESC=C([C@@H](CCCI)CO[Si](C)(C)C(C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C13H26IOSi.3CH3.Sn/c1-7-12(9-8-10-14)11-15-16(5,6)13(2,3)4;;;;/h12H,1,8-11H2,2-6H3;3*1H3;/t12-;;;;/m0..../s1
InChIKeyIHFPZTFNDJZLSW-KCOFNFEMSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.16
LogP ≤ 56.27
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'}

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Related Compounds

[5-Iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane
CID 117070056
tert-butyl-[(E,2R)-5-iodo-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 10882748
tert-butyl-[(2R)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane
CID 99771838
Tert-butyl[[2-(3-iodopropyl)-3-(trimethylstannyl)-3-butenyl]oxy]dimethylsilane
CID 117070058

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane (CID 99771839) is tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane is C=C([C@@H](CCCI)CO[Si](C)(C)C(C)(C)C)[Sn](C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane?
The InChIKey is IHFPZTFNDJZLSW-KCOFNFEMSA-N. The full InChI is InChI=1S/C13H26IOSi.3CH3.Sn/c1-7-12(9-8-10-14)11-15-16(5,6)13(2,3)4;;;;/h12H,1,8-11H2,2-6H3;3*1H3;/t12-;;;;/m0..../s1.
What are the key properties of tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane?
tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane has a molecular weight of 517.16 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane is sourced from PubChem (CID 99771839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).