(1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane

C10H21IOSi — CID 173303042

IUPAC(1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane
SMILESC[SiH](C)OC(I)C=CCC(C)(C)C
InChIInChI=1S/C10H21IOSi/c1-10(2,3)8-6-7-9(11)12-13(4)5/h6-7,9,13H,8H2,1-5H3
InChIKeyWVWRNJSBBRNUIY-UHFFFAOYSA-N
MW312.27 g/mol
LogP3.74
Rot. Bonds4

About (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane

(1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane (PubChem CID 173303042) has the molecular formula C10H21IOSi and a molecular weight of 312.27 g/mol. Its IUPAC name is (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane.

Molecular Properties

Compound Name(1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane
PubChem CID173303042
Molecular FormulaC10H21IOSi
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name(1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane
SMILESC[SiH](C)OC(I)C=CCC(C)(C)C
InChIInChI=1S/C10H21IOSi/c1-10(2,3)8-6-7-9(11)12-13(4)5/h6-7,9,13H,8H2,1-5H3
InChIKeyWVWRNJSBBRNUIY-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane?
The IUPAC name of (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane (CID 173303042) is (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane.
What is the SMILES notation for (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane?
The canonical SMILES for (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane is C[SiH](C)OC(I)C=CCC(C)(C)C.
What is the InChIKey of (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane?
The InChIKey is WVWRNJSBBRNUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IOSi/c1-10(2,3)8-6-7-9(11)12-13(4)5/h6-7,9,13H,8H2,1-5H3.
What are the key properties of (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane?
(1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane has a molecular weight of 312.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane is sourced from PubChem (CID 173303042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).