2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane

C12H24OSi — CID 12729466

IUPAC2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane
SMILESC=C=C(COCCCC)C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-8-9-13-10-12(7-2)11-14(3,4)5/h2,6,8-11H2,1,3-5H3
InChIKeyAABZSKJMFMKFHD-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.85
Rot. Bonds7

About 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane

2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane (PubChem CID 12729466) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane.

Molecular Properties

Compound Name2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane
PubChem CID12729466
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane
SMILESC=C=C(COCCCC)C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-8-9-13-10-12(7-2)11-14(3,4)5/h2,6,8-11H2,1,3-5H3
InChIKeyAABZSKJMFMKFHD-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane?
The IUPAC name of 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane (CID 12729466) is 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane.
What is the SMILES notation for 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane?
The canonical SMILES for 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane is C=C=C(COCCCC)C[Si](C)(C)C.
What is the InChIKey of 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane?
The InChIKey is AABZSKJMFMKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-6-8-9-13-10-12(7-2)11-14(3,4)5/h2,6,8-11H2,1,3-5H3.
What are the key properties of 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane?
2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)buta-2,3-dienyl-trimethylsilane is sourced from PubChem (CID 12729466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).