[5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane

C13H24OSi — CID 51349765

IUPAC[5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane
SMILESCC(=C=C[Si](C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C13H24OSi/c1-11(9-10-15(4,5)6)7-8-12-13(2,3)14-12/h10,12H,7-8H2,1-6H3
InChIKeyHJMIVDASHWEAOW-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.92
Rot. Bonds4

About [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane

[5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane (PubChem CID 51349765) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane
PubChem CID51349765
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name[5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane
SMILESCC(=C=C[Si](C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C13H24OSi/c1-11(9-10-15(4,5)6)7-8-12-13(2,3)14-12/h10,12H,7-8H2,1-6H3
InChIKeyHJMIVDASHWEAOW-UHFFFAOYSA-N
XLogP3.92
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane?
The IUPAC name of [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane (CID 51349765) is [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane.
What is the SMILES notation for [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane?
The canonical SMILES for [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane is CC(=C=C[Si](C)(C)C)CCC1OC1(C)C.
What is the InChIKey of [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane?
The InChIKey is HJMIVDASHWEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11(9-10-15(4,5)6)7-8-12-13(2,3)14-12/h10,12H,7-8H2,1-6H3.
What are the key properties of [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane?
[5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethyloxiran-2-yl)-3-methylpenta-1,2-dienyl]-trimethylsilane is sourced from PubChem (CID 51349765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).