ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate

C48H104O2Si4 — CID 101396918

IUPACethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate
SMILESCCCCCCCCCCCCCCC(C(CCCC(C(CCCCCCCCCCCCC(=O)OCC)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C48H104O2Si4/c1-15-17-18-19-20-21-22-23-26-29-32-35-39-44(51(3,4)5)46(53(9,10)11)41-38-42-47(54(12,13)14)45(52(6,7)8)40-36-33-30-27-24-25-28-31-34-37-43-48(49)50-16-2/h44-47H,15-43H2,1-14H3
InChIKeyYVXPROQAMOISHR-UHFFFAOYSA-N
MW825.70 g/mol
LogP18.33
Rot. Bonds37

About ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate

ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate (PubChem CID 101396918) has the molecular formula C48H104O2Si4 and a molecular weight of 825.70 g/mol. Its IUPAC name is ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate.

Molecular Properties

Compound Nameethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate
PubChem CID101396918
Molecular FormulaC48H104O2Si4
Molecular Weight825.70 g/mol
Exact Mass824.71
IUPAC Nameethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate
SMILESCCCCCCCCCCCCCCC(C(CCCC(C(CCCCCCCCCCCCC(=O)OCC)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C48H104O2Si4/c1-15-17-18-19-20-21-22-23-26-29-32-35-39-44(51(3,4)5)46(53(9,10)11)41-38-42-47(54(12,13)14)45(52(6,7)8)40-36-33-30-27-24-25-28-31-34-37-43-48(49)50-16-2/h44-47H,15-43H2,1-14H3
InChIKeyYVXPROQAMOISHR-UHFFFAOYSA-N
XLogP18.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.70
LogP ≤ 518.33
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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Related Compounds

ethyl 6-pentylpentadecanoate
CID 86165388
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl 9-hydroxyhexadecanoate
CID 129223650
ethyl hexanoate;icosan-9-ol
CID 170307384
ethyl 9,10-dimethylhexadecanoate
CID 71392798
ethyl decanoate;methanol
CID 161391102
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;gallane
CID 174708288

Frequently Asked Questions

What is the IUPAC name of ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate?
The IUPAC name of ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate (CID 101396918) is ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate.
What is the SMILES notation for ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate?
The canonical SMILES for ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate is CCCCCCCCCCCCCCC(C(CCCC(C(CCCCCCCCCCCCC(=O)OCC)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate?
The InChIKey is YVXPROQAMOISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H104O2Si4/c1-15-17-18-19-20-21-22-23-26-29-32-35-39-44(51(3,4)5)46(53(9,10)11)41-38-42-47(54(12,13)14)45(52(6,7)8)40-36-33-30-27-24-25-28-31-34-37-43-48(49)50-16-2/h44-47H,15-43H2,1-14H3.
What are the key properties of ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate?
ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate has a molecular weight of 825.70 g/mol, XLogP of 18.33, 37 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 14,15,19,20-tetrakis(trimethylsilyl)tetratriacontanoate is sourced from PubChem (CID 101396918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).