ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate

C20H25FO2Si — CID 11244867

IUPACethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate
SMILESCCOC(=O)CC(C(C)C)[Si](F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25FO2Si/c1-4-23-20(22)15-19(16(2)3)24(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,4,15H2,1-3H3
InChIKeyKVNAUNLQOVIODP-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.70
Rot. Bonds7

About ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate

ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate (PubChem CID 11244867) has the molecular formula C20H25FO2Si and a molecular weight of 344.50 g/mol. Its IUPAC name is ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate
PubChem CID11244867
Molecular FormulaC20H25FO2Si
Molecular Weight344.50 g/mol
Exact Mass344.16
IUPAC Nameethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate
SMILESCCOC(=O)CC(C(C)C)[Si](F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25FO2Si/c1-4-23-20(22)15-19(16(2)3)24(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,4,15H2,1-3H3
InChIKeyKVNAUNLQOVIODP-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.70
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 3-[fluoro(diphenyl)silyl]-4-methylpentanoate?
The IUPAC name of ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate (CID 11244867) is ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate.
What is the SMILES notation for ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate?
The canonical SMILES for ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate is CCOC(=O)CC(C(C)C)[Si](F)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate?
The InChIKey is KVNAUNLQOVIODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO2Si/c1-4-23-20(22)15-19(16(2)3)24(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,4,15H2,1-3H3.
What are the key properties of ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate?
ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate has a molecular weight of 344.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate is sourced from PubChem (CID 11244867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).