ethyl 4-[dichloro(methyl)silyl]butanoate

C7H14Cl2O2Si — CID 134882553

IUPACethyl 4-[dichloro(methyl)silyl]butanoate
SMILESCCOC(=O)CCC[Si](C)(Cl)Cl
InChIInChI=1S/C7H14Cl2O2Si/c1-3-11-7(10)5-4-6-12(2,8)9/h3-6H2,1-2H3
InChIKeyVVRPSCVXDKMQIV-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.88
Rot. Bonds5

About ethyl 4-[dichloro(methyl)silyl]butanoate

ethyl 4-[dichloro(methyl)silyl]butanoate (PubChem CID 134882553) has the molecular formula C7H14Cl2O2Si and a molecular weight of 229.18 g/mol. Its IUPAC name is ethyl 4-[dichloro(methyl)silyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[dichloro(methyl)silyl]butanoate
PubChem CID134882553
Molecular FormulaC7H14Cl2O2Si
Molecular Weight229.18 g/mol
Exact Mass228.01
IUPAC Nameethyl 4-[dichloro(methyl)silyl]butanoate
SMILESCCOC(=O)CCC[Si](C)(Cl)Cl
InChIInChI=1S/C7H14Cl2O2Si/c1-3-11-7(10)5-4-6-12(2,8)9/h3-6H2,1-2H3
InChIKeyVVRPSCVXDKMQIV-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[dichloro(methyl)silyl]butanoate?
The IUPAC name of ethyl 4-[dichloro(methyl)silyl]butanoate (CID 134882553) is ethyl 4-[dichloro(methyl)silyl]butanoate.
What is the SMILES notation for ethyl 4-[dichloro(methyl)silyl]butanoate?
The canonical SMILES for ethyl 4-[dichloro(methyl)silyl]butanoate is CCOC(=O)CCC[Si](C)(Cl)Cl.
What is the InChIKey of ethyl 4-[dichloro(methyl)silyl]butanoate?
The InChIKey is VVRPSCVXDKMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O2Si/c1-3-11-7(10)5-4-6-12(2,8)9/h3-6H2,1-2H3.
What are the key properties of ethyl 4-[dichloro(methyl)silyl]butanoate?
ethyl 4-[dichloro(methyl)silyl]butanoate has a molecular weight of 229.18 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[dichloro(methyl)silyl]butanoate is sourced from PubChem (CID 134882553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).