2-methylprop-1-enylsilyl acetate

C6H12O2Si — CID 71437000

IUPAC2-methylprop-1-enylsilyl acetate
SMILESCC(=O)O[SiH2]C=C(C)C
InChIInChI=1S/C6H12O2Si/c1-5(2)4-9-8-6(3)7/h4H,9H2,1-3H3
InChIKeyPPOJDSVYLKKBAK-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.56
Rot. Bonds2

About 2-methylprop-1-enylsilyl acetate

2-methylprop-1-enylsilyl acetate (PubChem CID 71437000) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 2-methylprop-1-enylsilyl acetate.

Molecular Properties

Compound Name2-methylprop-1-enylsilyl acetate
PubChem CID71437000
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name2-methylprop-1-enylsilyl acetate
SMILESCC(=O)O[SiH2]C=C(C)C
InChIInChI=1S/C6H12O2Si/c1-5(2)4-9-8-6(3)7/h4H,9H2,1-3H3
InChIKeyPPOJDSVYLKKBAK-UHFFFAOYSA-N
XLogP0.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methacryloxy-propylsilane
CID 21888580
Acetoxy(dimethyl)vinylsilane
CID 53430965
Prop-2-enylsilyl acetate
CID 101645043
Propylsilyl 2-methylprop-2-enoate
CID 123334140
[Hydroxy(propyl)silyl] 2-methylprop-2-enoate
CID 123509892
Methylsilyl 2-methylprop-2-enoate
CID 123839262
[Propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate
CID 123869869
Silyl 2-methyl-3-silylprop-2-enoate
CID 123944866
2-(2-Methylprop-1-enylsilyl)acetic acid
CID 150448561
Ethenylsilyl 2-methylprop-2-enoate
CID 150997629
[Acetyloxy(2-methylprop-1-enyl)silyl] acetate
CID 154117841
Propan-2-ylsilyl 2-methylprop-2-enoate
CID 154451583

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enylsilyl acetate?
The IUPAC name of 2-methylprop-1-enylsilyl acetate (CID 71437000) is 2-methylprop-1-enylsilyl acetate.
What is the SMILES notation for 2-methylprop-1-enylsilyl acetate?
The canonical SMILES for 2-methylprop-1-enylsilyl acetate is CC(=O)O[SiH2]C=C(C)C.
What is the InChIKey of 2-methylprop-1-enylsilyl acetate?
The InChIKey is PPOJDSVYLKKBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-5(2)4-9-8-6(3)7/h4H,9H2,1-3H3.
What are the key properties of 2-methylprop-1-enylsilyl acetate?
2-methylprop-1-enylsilyl acetate has a molecular weight of 144.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enylsilyl acetate is sourced from PubChem (CID 71437000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).