[dichloro(prop-2-enyl)silyl] acetate

C5H8Cl2O2Si — CID 19905087

IUPAC[dichloro(prop-2-enyl)silyl] acetate
SMILESC=CC[Si](Cl)(Cl)OC(C)=O
InChIInChI=1S/C5H8Cl2O2Si/c1-3-4-10(6,7)9-5(2)8/h3H,1,4H2,2H3
InChIKeyPQAPFGFBAUUKDG-UHFFFAOYSA-N
MW199.11 g/mol
LogP2.15
Rot. Bonds3

About [dichloro(prop-2-enyl)silyl] acetate

[dichloro(prop-2-enyl)silyl] acetate (PubChem CID 19905087) has the molecular formula C5H8Cl2O2Si and a molecular weight of 199.11 g/mol. Its IUPAC name is [dichloro(prop-2-enyl)silyl] acetate.

Molecular Properties

Compound Name[dichloro(prop-2-enyl)silyl] acetate
PubChem CID19905087
Molecular FormulaC5H8Cl2O2Si
Molecular Weight199.11 g/mol
Exact Mass197.97
IUPAC Name[dichloro(prop-2-enyl)silyl] acetate
SMILESC=CC[Si](Cl)(Cl)OC(C)=O
InChIInChI=1S/C5H8Cl2O2Si/c1-3-4-10(6,7)9-5(2)8/h3H,1,4H2,2H3
InChIKeyPQAPFGFBAUUKDG-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

Allyltriacetoxysilane
CID 80035
[Dimethyl(prop-2-enyl)silyl] acetate
CID 13624825
CID 18676755
CID 18676755
(Acetyloxy-chloro-prop-2-enylsilyl) acetate
CID 19905095
[Dichloro(ethenyl)silyl] propanoate
CID 21752713
[Acetyloxy(prop-1-enyl)silyl] acetate
CID 57376819
[Dimethoxy(prop-2-enyl)silyl] acetate
CID 87366405
[Dichloro(propyl)silyl] prop-2-enoate
CID 88248451
Prop-2-enylsilyl acetate
CID 101645043
[Acetyloxy(prop-2-enyl)silyl] acetate
CID 123976563
[Diacetyloxy(prop-1-enyl)silyl] acetate
CID 141732212
CID 21584691
CID 21584691

Frequently Asked Questions

What is the IUPAC name of [dichloro(prop-2-enyl)silyl] acetate?
The IUPAC name of [dichloro(prop-2-enyl)silyl] acetate (CID 19905087) is [dichloro(prop-2-enyl)silyl] acetate.
What is the SMILES notation for [dichloro(prop-2-enyl)silyl] acetate?
The canonical SMILES for [dichloro(prop-2-enyl)silyl] acetate is C=CC[Si](Cl)(Cl)OC(C)=O.
What is the InChIKey of [dichloro(prop-2-enyl)silyl] acetate?
The InChIKey is PQAPFGFBAUUKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O2Si/c1-3-4-10(6,7)9-5(2)8/h3H,1,4H2,2H3.
What are the key properties of [dichloro(prop-2-enyl)silyl] acetate?
[dichloro(prop-2-enyl)silyl] acetate has a molecular weight of 199.11 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(prop-2-enyl)silyl] acetate is sourced from PubChem (CID 19905087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).