[5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane

C13H29IOSiSn — CID 117070056

IUPAC[5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane
SMILESC=C(C(CCCI)CO[Si](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C10H20IOSi.3CH3.Sn/c1-5-10(7-6-8-11)9-12-13(2,3)4;;;;/h10H,1,6-9H2,2-4H3;3*1H3;
InChIKeyMDSHJJPLODWKRE-UHFFFAOYSA-N
MW475.08 g/mol
LogP5.10
Rot. Bonds8

About [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane

[5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane (PubChem CID 117070056) has the molecular formula C13H29IOSiSn and a molecular weight of 475.08 g/mol. Its IUPAC name is [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane.

Molecular Properties

Compound Name[5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane
PubChem CID117070056
Molecular FormulaC13H29IOSiSn
Molecular Weight475.08 g/mol
Exact Mass476.01
IUPAC Name[5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane
SMILESC=C(C(CCCI)CO[Si](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C10H20IOSi.3CH3.Sn/c1-5-10(7-6-8-11)9-12-13(2,3)4;;;;/h10H,1,6-9H2,2-4H3;3*1H3;
InChIKeyMDSHJJPLODWKRE-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.08
LogP ≤ 55.10
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

tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
CID 24865147
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-[(2S)-5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-dimethylsilane
CID 99771839
Tert-butyl[[2-(3-iodopropyl)-3-(trimethylstannyl)-3-butenyl]oxy]dimethylsilane
CID 117070058

Frequently Asked Questions

What is the IUPAC name of [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane?
The IUPAC name of [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane (CID 117070056) is [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane.
What is the SMILES notation for [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane?
The canonical SMILES for [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane is C=C(C(CCCI)CO[Si](C)(C)C)[Sn](C)(C)C.
What is the InChIKey of [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane?
The InChIKey is MDSHJJPLODWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IOSi.3CH3.Sn/c1-5-10(7-6-8-11)9-12-13(2,3)4;;;;/h10H,1,6-9H2,2-4H3;3*1H3;.
What are the key properties of [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane?
[5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane has a molecular weight of 475.08 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-2-(1-trimethylstannylethenyl)pentoxy]-trimethylsilane is sourced from PubChem (CID 117070056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).