ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate

C24H48O4Si — CID 11327834

IUPACethyl 10-formyl-12-trimethylsilyloxyoctadecanoate
SMILESCCCCCCC(CC(C=O)CCCCCCCCC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/c1-6-8-9-15-18-23(28-29(3,4)5)20-22(21-25)17-14-12-10-11-13-16-19-24(26)27-7-2/h21-23H,6-20H2,1-5H3
InChIKeyFDJUOWCUUAFMPF-UHFFFAOYSA-N
MW428.73 g/mol
LogP7.07
Rot. Bonds20

About ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate

ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate (PubChem CID 11327834) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate.

Molecular Properties

Compound Nameethyl 10-formyl-12-trimethylsilyloxyoctadecanoate
PubChem CID11327834
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Nameethyl 10-formyl-12-trimethylsilyloxyoctadecanoate
SMILESCCCCCCC(CC(C=O)CCCCCCCCC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/c1-6-8-9-15-18-23(28-29(3,4)5)20-22(21-25)17-14-12-10-11-13-16-19-24(26)27-7-2/h21-23H,6-20H2,1-5H3
InChIKeyFDJUOWCUUAFMPF-UHFFFAOYSA-N
XLogP7.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
CID 91751325
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
ethyl 12-octadec-9-enoyloxyoctadecanoate
CID 91498205
ethyl 6-pentylpentadecanoate
CID 86165388
methyl 9,10,12-tris(trimethylsilyloxy)octadecanoate
CID 71372132
ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate
CID 101396918
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl undecanoate
CID 12327
ethyl 9-hydroxyhexadecanoate
CID 129223650

Frequently Asked Questions

What is the IUPAC name of ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate?
The IUPAC name of ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate (CID 11327834) is ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate.
What is the SMILES notation for ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate?
The canonical SMILES for ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate is CCCCCCC(CC(C=O)CCCCCCCCC(=O)OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate?
The InChIKey is FDJUOWCUUAFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-6-8-9-15-18-23(28-29(3,4)5)20-22(21-25)17-14-12-10-11-13-16-19-24(26)27-7-2/h21-23H,6-20H2,1-5H3.
What are the key properties of ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate?
ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate has a molecular weight of 428.73 g/mol, XLogP of 7.07, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate is sourced from PubChem (CID 11327834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).