benzyl-methyl-prop-2-ynylsilane

C11H14Si — CID 71380984

IUPACbenzyl-methyl-prop-2-ynylsilane
SMILESC#CC[SiH](C)Cc1ccccc1
InChIInChI=1S/C11H14Si/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8,12H,9-10H2,2H3
InChIKeyFDRSBYNNEQFXPJ-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.26
Rot. Bonds3

About benzyl-methyl-prop-2-ynylsilane

benzyl-methyl-prop-2-ynylsilane (PubChem CID 71380984) has the molecular formula C11H14Si and a molecular weight of 174.32 g/mol. Its IUPAC name is benzyl-methyl-prop-2-ynylsilane.

Molecular Properties

Compound Namebenzyl-methyl-prop-2-ynylsilane
PubChem CID71380984
Molecular FormulaC11H14Si
Molecular Weight174.32 g/mol
Exact Mass174.09
IUPAC Namebenzyl-methyl-prop-2-ynylsilane
SMILESC#CC[SiH](C)Cc1ccccc1
InChIInChI=1S/C11H14Si/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8,12H,9-10H2,2H3
InChIKeyFDRSBYNNEQFXPJ-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 benzyl-methyl-prop-2-ynylsilane?
The IUPAC name of benzyl-methyl-prop-2-ynylsilane (CID 71380984) is benzyl-methyl-prop-2-ynylsilane.
What is the SMILES notation for benzyl-methyl-prop-2-ynylsilane?
The canonical SMILES for benzyl-methyl-prop-2-ynylsilane is C#CC[SiH](C)Cc1ccccc1.
What is the InChIKey of benzyl-methyl-prop-2-ynylsilane?
The InChIKey is FDRSBYNNEQFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Si/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8,12H,9-10H2,2H3.
What are the key properties of benzyl-methyl-prop-2-ynylsilane?
benzyl-methyl-prop-2-ynylsilane has a molecular weight of 174.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-prop-2-ynylsilane is sourced from PubChem (CID 71380984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).