tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane

C14H29IOSi — CID 11245582

IUPACtert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane
SMILESC=CC(CCI)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-13(10-11-15)9-8-12-16-17(5,6)14(2,3)4/h7,13H,1,8-12H2,2-6H3
InChIKeyNIPBEMFEOLOYIS-UHFFFAOYSA-N
MW368.38 g/mol
LogP5.42
Rot. Bonds8

About tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane

tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane (PubChem CID 11245582) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane
PubChem CID11245582
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Nametert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane
SMILESC=CC(CCI)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-13(10-11-15)9-8-12-16-17(5,6)14(2,3)4/h7,13H,1,8-12H2,2-6H3
InChIKeyNIPBEMFEOLOYIS-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane (CID 11245582) is tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane is C=CC(CCI)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane?
The InChIKey is NIPBEMFEOLOYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-7-13(10-11-15)9-8-12-16-17(5,6)14(2,3)4/h7,13H,1,8-12H2,2-6H3.
What are the key properties of tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane?
tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11245582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).