chloro-methyl-prop-2-enylsilane

C4H9ClSi — CID 54526956

IUPACchloro-methyl-prop-2-enylsilane
SMILESC=CC[Si@@H](C)Cl
InChIInChI=1S/C4H9ClSi/c1-3-4-6(2)5/h3,6H,1,4H2,2H3/t6-/m1/s1
InChIKeyYTUJIJKPUZMGNH-ZCFIWIBFSA-N
MW120.65 g/mol
LogP1.76
Rot. Bonds2

About chloro-methyl-prop-2-enylsilane

chloro-methyl-prop-2-enylsilane (PubChem CID 54526956) has the molecular formula C4H9ClSi and a molecular weight of 120.65 g/mol. Its IUPAC name is chloro-methyl-prop-2-enylsilane.

Molecular Properties

Compound Namechloro-methyl-prop-2-enylsilane
PubChem CID54526956
Molecular FormulaC4H9ClSi
Molecular Weight120.65 g/mol
Exact Mass120.02
IUPAC Namechloro-methyl-prop-2-enylsilane
SMILESC=CC[Si@@H](C)Cl
InChIInChI=1S/C4H9ClSi/c1-3-4-6(2)5/h3,6H,1,4H2,2H3/t6-/m1/s1
InChIKeyYTUJIJKPUZMGNH-ZCFIWIBFSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.65
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-prop-2-enylsilane?
The IUPAC name of chloro-methyl-prop-2-enylsilane (CID 54526956) is chloro-methyl-prop-2-enylsilane.
What is the SMILES notation for chloro-methyl-prop-2-enylsilane?
The canonical SMILES for chloro-methyl-prop-2-enylsilane is C=CC[Si@@H](C)Cl.
What is the InChIKey of chloro-methyl-prop-2-enylsilane?
The InChIKey is YTUJIJKPUZMGNH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C4H9ClSi/c1-3-4-6(2)5/h3,6H,1,4H2,2H3/t6-/m1/s1.
What are the key properties of chloro-methyl-prop-2-enylsilane?
chloro-methyl-prop-2-enylsilane has a molecular weight of 120.65 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-prop-2-enylsilane is sourced from PubChem (CID 54526956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).