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

C7H11ClO4Si — CID 19905095

IUPAC(acetyloxy-chloro-prop-2-enylsilyl) acetate
SMILESC=CC[Si](Cl)(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H11ClO4Si/c1-4-5-13(8,11-6(2)9)12-7(3)10/h4H,1,5H2,2-3H3
InChIKeyZVKHHEPOMGQCCX-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.48
Rot. Bonds4

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

(acetyloxy-chloro-prop-2-enylsilyl) acetate (PubChem CID 19905095) has the molecular formula C7H11ClO4Si and a molecular weight of 222.70 g/mol. Its IUPAC name is (acetyloxy-chloro-prop-2-enylsilyl) acetate.

Molecular Properties

Compound Name(acetyloxy-chloro-prop-2-enylsilyl) acetate
PubChem CID19905095
Molecular FormulaC7H11ClO4Si
Molecular Weight222.70 g/mol
Exact Mass222.01
IUPAC Name(acetyloxy-chloro-prop-2-enylsilyl) acetate
SMILESC=CC[Si](Cl)(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H11ClO4Si/c1-4-5-13(8,11-6(2)9)12-7(3)10/h4H,1,5H2,2-3H3
InChIKeyZVKHHEPOMGQCCX-UHFFFAOYSA-N
XLogP1.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.48
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

CID 80035
CID 80035
CID 13624825
CID 13624825
CID 13624827
CID 13624827
CID 13977506
CID 13977506
CID 18366415
CID 18366415
CID 18676755
CID 18676755
CID 19905087
CID 19905087
CID 19905094
CID 19905094
CID 21752706
CID 21752706
CID 54000706
CID 54000706
CID 57376819
CID 57376819
CID 87251007
CID 87251007

Frequently Asked Questions

What is the IUPAC name of (acetyloxy-chloro-prop-2-enylsilyl) acetate?
The IUPAC name of (acetyloxy-chloro-prop-2-enylsilyl) acetate (CID 19905095) is (acetyloxy-chloro-prop-2-enylsilyl) acetate.
What is the SMILES notation for (acetyloxy-chloro-prop-2-enylsilyl) acetate?
The canonical SMILES for (acetyloxy-chloro-prop-2-enylsilyl) acetate is C=CC[Si](Cl)(OC(C)=O)OC(C)=O.
What is the InChIKey of (acetyloxy-chloro-prop-2-enylsilyl) acetate?
The InChIKey is ZVKHHEPOMGQCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO4Si/c1-4-5-13(8,11-6(2)9)12-7(3)10/h4H,1,5H2,2-3H3.
What are the key properties of (acetyloxy-chloro-prop-2-enylsilyl) acetate?
(acetyloxy-chloro-prop-2-enylsilyl) acetate has a molecular weight of 222.70 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (acetyloxy-chloro-prop-2-enylsilyl) acetate is sourced from PubChem (CID 19905095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).