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

C7H13ClO2Si — CID 11116888

IUPACethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate
SMILESCCOC(=O)/C=C/[Si](C)(C)Cl
InChIInChI=1S/C7H13ClO2Si/c1-4-10-7(9)5-6-11(2,3)8/h5-6H,4H2,1-3H3/b6-5+
InChIKeyYMWUDOCECLTRIT-AATRIKPKSA-N
MW192.72 g/mol
LogP2.09
Rot. Bonds3

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

ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate (PubChem CID 11116888) has the molecular formula C7H13ClO2Si and a molecular weight of 192.72 g/mol. Its IUPAC name is ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate
PubChem CID11116888
Molecular FormulaC7H13ClO2Si
Molecular Weight192.72 g/mol
Exact Mass192.04
IUPAC Nameethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate
SMILESCCOC(=O)/C=C/[Si](C)(C)Cl
InChIInChI=1S/C7H13ClO2Si/c1-4-10-7(9)5-6-11(2,3)8/h5-6H,4H2,1-3H3/b6-5+
InChIKeyYMWUDOCECLTRIT-AATRIKPKSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.72
LogP ≤ 52.09
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 ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate (CID 11116888) is ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate is CCOC(=O)/C=C/[Si](C)(C)Cl.
What is the InChIKey of ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate?
The InChIKey is YMWUDOCECLTRIT-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13ClO2Si/c1-4-10-7(9)5-6-11(2,3)8/h5-6H,4H2,1-3H3/b6-5+.
What are the key properties of ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate?
ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate has a molecular weight of 192.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[chloro(dimethyl)silyl]prop-2-enoate is sourced from PubChem (CID 11116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).