3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate

C8H13ClO2Si — CID 54158181

IUPAC3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=C[Si](C)(C)Cl
InChIInChI=1S/C8H13ClO2Si/c1-4-8(10)11-6-5-7-12(2,3)9/h4-5,7H,1,6H2,2-3H3
InChIKeyOMNPHSMLOCKUCW-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.25
Rot. Bonds4

About 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate

3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate (PubChem CID 54158181) has the molecular formula C8H13ClO2Si and a molecular weight of 204.73 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate
PubChem CID54158181
Molecular FormulaC8H13ClO2Si
Molecular Weight204.73 g/mol
Exact Mass204.04
IUPAC Name3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=C[Si](C)(C)Cl
InChIInChI=1S/C8H13ClO2Si/c1-4-8(10)11-6-5-7-12(2,3)9/h4-5,7H,1,6H2,2-3H3
InChIKeyOMNPHSMLOCKUCW-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate?
The IUPAC name of 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate (CID 54158181) is 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate is C=CC(=O)OCC=C[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate?
The InChIKey is OMNPHSMLOCKUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2Si/c1-4-8(10)11-6-5-7-12(2,3)9/h4-5,7H,1,6H2,2-3H3.
What are the key properties of 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate?
3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate has a molecular weight of 204.73 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]prop-2-enyl prop-2-enoate is sourced from PubChem (CID 54158181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).