3-methoxyprop-1-ynyl-dimethyl-phenylsilane

C12H16OSi — CID 140704450

IUPAC3-methoxyprop-1-ynyl-dimethyl-phenylsilane
SMILESCOCC#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-13-10-7-11-14(2,3)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3
InChIKeyGBIVYIKWVGMYFI-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.79
Rot. Bonds2

About 3-methoxyprop-1-ynyl-dimethyl-phenylsilane

3-methoxyprop-1-ynyl-dimethyl-phenylsilane (PubChem CID 140704450) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-methoxyprop-1-ynyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name3-methoxyprop-1-ynyl-dimethyl-phenylsilane
PubChem CID140704450
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name3-methoxyprop-1-ynyl-dimethyl-phenylsilane
SMILESCOCC#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-13-10-7-11-14(2,3)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3
InChIKeyGBIVYIKWVGMYFI-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methoxyprop-1-ynyl-dimethyl-phenylsilane?
The IUPAC name of 3-methoxyprop-1-ynyl-dimethyl-phenylsilane (CID 140704450) is 3-methoxyprop-1-ynyl-dimethyl-phenylsilane.
What is the SMILES notation for 3-methoxyprop-1-ynyl-dimethyl-phenylsilane?
The canonical SMILES for 3-methoxyprop-1-ynyl-dimethyl-phenylsilane is COCC#C[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-methoxyprop-1-ynyl-dimethyl-phenylsilane?
The InChIKey is GBIVYIKWVGMYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-13-10-7-11-14(2,3)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3.
What are the key properties of 3-methoxyprop-1-ynyl-dimethyl-phenylsilane?
3-methoxyprop-1-ynyl-dimethyl-phenylsilane has a molecular weight of 204.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-1-ynyl-dimethyl-phenylsilane is sourced from PubChem (CID 140704450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).