(acetyloxy-ethenyl-prop-2-enylsilyl) acetate

C9H14O4Si — CID 87251007

IUPAC(acetyloxy-ethenyl-prop-2-enylsilyl) acetate
SMILESC=CC[Si](C=C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H14O4Si/c1-5-7-14(6-2,12-8(3)10)13-9(4)11/h5-6H,1-2,7H2,3-4H3
InChIKeyZFJJPBWEVFHWRS-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.47
Rot. Bonds5

About (acetyloxy-ethenyl-prop-2-enylsilyl) acetate

(acetyloxy-ethenyl-prop-2-enylsilyl) acetate (PubChem CID 87251007) has the molecular formula C9H14O4Si and a molecular weight of 214.29 g/mol. Its IUPAC name is (acetyloxy-ethenyl-prop-2-enylsilyl) acetate.

Molecular Properties

Compound Name(acetyloxy-ethenyl-prop-2-enylsilyl) acetate
PubChem CID87251007
Molecular FormulaC9H14O4Si
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name(acetyloxy-ethenyl-prop-2-enylsilyl) acetate
SMILESC=CC[Si](C=C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C9H14O4Si/c1-5-7-14(6-2,12-8(3)10)13-9(4)11/h5-6H,1-2,7H2,3-4H3
InChIKeyZFJJPBWEVFHWRS-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (acetyloxy-ethenyl-prop-2-enylsilyl) acetate?
The IUPAC name of (acetyloxy-ethenyl-prop-2-enylsilyl) acetate (CID 87251007) is (acetyloxy-ethenyl-prop-2-enylsilyl) acetate.
What is the SMILES notation for (acetyloxy-ethenyl-prop-2-enylsilyl) acetate?
The canonical SMILES for (acetyloxy-ethenyl-prop-2-enylsilyl) acetate is C=CC[Si](C=C)(OC(C)=O)OC(C)=O.
What is the InChIKey of (acetyloxy-ethenyl-prop-2-enylsilyl) acetate?
The InChIKey is ZFJJPBWEVFHWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4Si/c1-5-7-14(6-2,12-8(3)10)13-9(4)11/h5-6H,1-2,7H2,3-4H3.
What are the key properties of (acetyloxy-ethenyl-prop-2-enylsilyl) acetate?
(acetyloxy-ethenyl-prop-2-enylsilyl) acetate has a molecular weight of 214.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (acetyloxy-ethenyl-prop-2-enylsilyl) acetate is sourced from PubChem (CID 87251007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).