buta-1,3-dienoxy-tert-butyl-dimethylsilane

C10H20OSi — CID 53406248

IUPACbuta-1,3-dienoxy-tert-butyl-dimethylsilane
SMILESC=CC=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h7-9H,1H2,2-6H3
InChIKeyFOVNQHKJPKSUOU-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.71
Rot. Bonds3

About buta-1,3-dienoxy-tert-butyl-dimethylsilane

buta-1,3-dienoxy-tert-butyl-dimethylsilane (PubChem CID 53406248) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is buta-1,3-dienoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Namebuta-1,3-dienoxy-tert-butyl-dimethylsilane
PubChem CID53406248
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Namebuta-1,3-dienoxy-tert-butyl-dimethylsilane
SMILESC=CC=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h7-9H,1H2,2-6H3
InChIKeyFOVNQHKJPKSUOU-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-dienoxy-tert-butyl-dimethylsilane?
The IUPAC name of buta-1,3-dienoxy-tert-butyl-dimethylsilane (CID 53406248) is buta-1,3-dienoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for buta-1,3-dienoxy-tert-butyl-dimethylsilane?
The canonical SMILES for buta-1,3-dienoxy-tert-butyl-dimethylsilane is C=CC=CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of buta-1,3-dienoxy-tert-butyl-dimethylsilane?
The InChIKey is FOVNQHKJPKSUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h7-9H,1H2,2-6H3.
What are the key properties of buta-1,3-dienoxy-tert-butyl-dimethylsilane?
buta-1,3-dienoxy-tert-butyl-dimethylsilane has a molecular weight of 184.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 53406248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).