ethyl 5-[dimethyl(phenyl)silyl]pentanoate

C15H24O2Si — CID 10061371

IUPACethyl 5-[dimethyl(phenyl)silyl]pentanoate
SMILESCCOC(=O)CCCC[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24O2Si/c1-4-17-15(16)12-8-9-13-18(2,3)14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3
InChIKeyKHYBKBPKCRLKPL-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.34
Rot. Bonds7

About ethyl 5-[dimethyl(phenyl)silyl]pentanoate

ethyl 5-[dimethyl(phenyl)silyl]pentanoate (PubChem CID 10061371) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is ethyl 5-[dimethyl(phenyl)silyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[dimethyl(phenyl)silyl]pentanoate
PubChem CID10061371
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Nameethyl 5-[dimethyl(phenyl)silyl]pentanoate
SMILESCCOC(=O)CCCC[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24O2Si/c1-4-17-15(16)12-8-9-13-18(2,3)14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3
InChIKeyKHYBKBPKCRLKPL-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[dimethyl(phenyl)silyl]pentanoate?
The IUPAC name of ethyl 5-[dimethyl(phenyl)silyl]pentanoate (CID 10061371) is ethyl 5-[dimethyl(phenyl)silyl]pentanoate.
What is the SMILES notation for ethyl 5-[dimethyl(phenyl)silyl]pentanoate?
The canonical SMILES for ethyl 5-[dimethyl(phenyl)silyl]pentanoate is CCOC(=O)CCCC[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl 5-[dimethyl(phenyl)silyl]pentanoate?
The InChIKey is KHYBKBPKCRLKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-4-17-15(16)12-8-9-13-18(2,3)14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3.
What are the key properties of ethyl 5-[dimethyl(phenyl)silyl]pentanoate?
ethyl 5-[dimethyl(phenyl)silyl]pentanoate has a molecular weight of 264.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[dimethyl(phenyl)silyl]pentanoate is sourced from PubChem (CID 10061371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).