ethyl 3-[dichloro(methyl)silyl]propanoate

C6H12Cl2O2Si — CID 10889276

IUPACethyl 3-[dichloro(methyl)silyl]propanoate
SMILESCCOC(=O)CC[Si](C)(Cl)Cl
InChIInChI=1S/C6H12Cl2O2Si/c1-3-10-6(9)4-5-11(2,7)8/h3-5H2,1-2H3
InChIKeyFZSGCGQDNCSYGO-UHFFFAOYSA-N
MW215.15 g/mol
LogP2.49
Rot. Bonds4

About ethyl 3-[dichloro(methyl)silyl]propanoate

ethyl 3-[dichloro(methyl)silyl]propanoate (PubChem CID 10889276) has the molecular formula C6H12Cl2O2Si and a molecular weight of 215.15 g/mol. Its IUPAC name is ethyl 3-[dichloro(methyl)silyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[dichloro(methyl)silyl]propanoate
PubChem CID10889276
Molecular FormulaC6H12Cl2O2Si
Molecular Weight215.15 g/mol
Exact Mass214.00
IUPAC Nameethyl 3-[dichloro(methyl)silyl]propanoate
SMILESCCOC(=O)CC[Si](C)(Cl)Cl
InChIInChI=1S/C6H12Cl2O2Si/c1-3-10-6(9)4-5-11(2,7)8/h3-5H2,1-2H3
InChIKeyFZSGCGQDNCSYGO-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[dichloro(methyl)silyl]butanoate
CID 134882553
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
diethyl icosanedioate
CID 5058538
ethyl 3-hydroxypropanoate
CID 160663371
dichloromethane;ethyl 3-hydroxypropanoate
CID 22030839
ethyl 3-sulfanylpropanoate
CID 21625
CID 135037216
CID 135037216
ethyl 3-iodopropanoate
CID 10911297
CID 88852626
CID 88852626
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[dichloro(methyl)silyl]propanoate?
The IUPAC name of ethyl 3-[dichloro(methyl)silyl]propanoate (CID 10889276) is ethyl 3-[dichloro(methyl)silyl]propanoate.
What is the SMILES notation for ethyl 3-[dichloro(methyl)silyl]propanoate?
The canonical SMILES for ethyl 3-[dichloro(methyl)silyl]propanoate is CCOC(=O)CC[Si](C)(Cl)Cl.
What is the InChIKey of ethyl 3-[dichloro(methyl)silyl]propanoate?
The InChIKey is FZSGCGQDNCSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O2Si/c1-3-10-6(9)4-5-11(2,7)8/h3-5H2,1-2H3.
What are the key properties of ethyl 3-[dichloro(methyl)silyl]propanoate?
ethyl 3-[dichloro(methyl)silyl]propanoate has a molecular weight of 215.15 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[dichloro(methyl)silyl]propanoate is sourced from PubChem (CID 10889276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).