diethoxy-methyl-prop-2-ynylsilane

C8H16O2Si — CID 87163342

IUPACdiethoxy-methyl-prop-2-ynylsilane
SMILESC#CC[Si](C)(OCC)OCC
InChIInChI=1S/C8H16O2Si/c1-5-8-11(4,9-6-2)10-7-3/h1H,6-8H2,2-4H3
InChIKeyXJXMIXGUDCJEMP-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.76
Rot. Bonds5

About diethoxy-methyl-prop-2-ynylsilane

diethoxy-methyl-prop-2-ynylsilane (PubChem CID 87163342) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is diethoxy-methyl-prop-2-ynylsilane.

Molecular Properties

Compound Namediethoxy-methyl-prop-2-ynylsilane
PubChem CID87163342
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Namediethoxy-methyl-prop-2-ynylsilane
SMILESC#CC[Si](C)(OCC)OCC
InChIInChI=1S/C8H16O2Si/c1-5-8-11(4,9-6-2)10-7-3/h1H,6-8H2,2-4H3
InChIKeyXJXMIXGUDCJEMP-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 diethoxy-methyl-prop-2-ynylsilane?
The IUPAC name of diethoxy-methyl-prop-2-ynylsilane (CID 87163342) is diethoxy-methyl-prop-2-ynylsilane.
What is the SMILES notation for diethoxy-methyl-prop-2-ynylsilane?
The canonical SMILES for diethoxy-methyl-prop-2-ynylsilane is C#CC[Si](C)(OCC)OCC.
What is the InChIKey of diethoxy-methyl-prop-2-ynylsilane?
The InChIKey is XJXMIXGUDCJEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-5-8-11(4,9-6-2)10-7-3/h1H,6-8H2,2-4H3.
What are the key properties of diethoxy-methyl-prop-2-ynylsilane?
diethoxy-methyl-prop-2-ynylsilane has a molecular weight of 172.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-prop-2-ynylsilane is sourced from PubChem (CID 87163342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).