dibutoxy-methyl-prop-2-ynylsilane

C12H24O2Si — CID 87207326

IUPACdibutoxy-methyl-prop-2-ynylsilane
SMILESC#CC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C12H24O2Si/c1-5-8-10-13-15(4,12-7-3)14-11-9-6-2/h3H,5-6,8-12H2,1-2,4H3
InChIKeyVEXLPWRDDXOWMM-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.33
Rot. Bonds9

About dibutoxy-methyl-prop-2-ynylsilane

dibutoxy-methyl-prop-2-ynylsilane (PubChem CID 87207326) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is dibutoxy-methyl-prop-2-ynylsilane.

Molecular Properties

Compound Namedibutoxy-methyl-prop-2-ynylsilane
PubChem CID87207326
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Namedibutoxy-methyl-prop-2-ynylsilane
SMILESC#CC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C12H24O2Si/c1-5-8-10-13-15(4,12-7-3)14-11-9-6-2/h3H,5-6,8-12H2,1-2,4H3
InChIKeyVEXLPWRDDXOWMM-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutoxy-methyl-prop-2-ynylsilane?
The IUPAC name of dibutoxy-methyl-prop-2-ynylsilane (CID 87207326) is dibutoxy-methyl-prop-2-ynylsilane.
What is the SMILES notation for dibutoxy-methyl-prop-2-ynylsilane?
The canonical SMILES for dibutoxy-methyl-prop-2-ynylsilane is C#CC[Si](C)(OCCCC)OCCCC.
What is the InChIKey of dibutoxy-methyl-prop-2-ynylsilane?
The InChIKey is VEXLPWRDDXOWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-5-8-10-13-15(4,12-7-3)14-11-9-6-2/h3H,5-6,8-12H2,1-2,4H3.
What are the key properties of dibutoxy-methyl-prop-2-ynylsilane?
dibutoxy-methyl-prop-2-ynylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-methyl-prop-2-ynylsilane is sourced from PubChem (CID 87207326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).