ethyl 2-[methyl(diphenyl)silyl]decanoate

C25H36O2Si — CID 13225432

IUPACethyl 2-[methyl(diphenyl)silyl]decanoate
SMILESCCCCCCCCC(C(=O)OCC)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O2Si/c1-4-6-7-8-9-16-21-24(25(26)27-5-2)28(3,22-17-12-10-13-18-22)23-19-14-11-15-20-23/h10-15,17-20,24H,4-9,16,21H2,1-3H3
InChIKeyOOGUYQVZJFWQAQ-UHFFFAOYSA-N
MW396.65 g/mol
LogP5.56
Rot. Bonds12

About ethyl 2-[methyl(diphenyl)silyl]decanoate

ethyl 2-[methyl(diphenyl)silyl]decanoate (PubChem CID 13225432) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is ethyl 2-[methyl(diphenyl)silyl]decanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(diphenyl)silyl]decanoate
PubChem CID13225432
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Nameethyl 2-[methyl(diphenyl)silyl]decanoate
SMILESCCCCCCCCC(C(=O)OCC)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O2Si/c1-4-6-7-8-9-16-21-24(25(26)27-5-2)28(3,22-17-12-10-13-18-22)23-19-14-11-15-20-23/h10-15,17-20,24H,4-9,16,21H2,1-3H3
InChIKeyOOGUYQVZJFWQAQ-UHFFFAOYSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.56
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 2-[methyl(diphenyl)silyl]decanoate?
The IUPAC name of ethyl 2-[methyl(diphenyl)silyl]decanoate (CID 13225432) is ethyl 2-[methyl(diphenyl)silyl]decanoate.
What is the SMILES notation for ethyl 2-[methyl(diphenyl)silyl]decanoate?
The canonical SMILES for ethyl 2-[methyl(diphenyl)silyl]decanoate is CCCCCCCCC(C(=O)OCC)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[methyl(diphenyl)silyl]decanoate?
The InChIKey is OOGUYQVZJFWQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-4-6-7-8-9-16-21-24(25(26)27-5-2)28(3,22-17-12-10-13-18-22)23-19-14-11-15-20-23/h10-15,17-20,24H,4-9,16,21H2,1-3H3.
What are the key properties of ethyl 2-[methyl(diphenyl)silyl]decanoate?
ethyl 2-[methyl(diphenyl)silyl]decanoate has a molecular weight of 396.65 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(diphenyl)silyl]decanoate is sourced from PubChem (CID 13225432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).