methyl 10,16-bis(trimethylsilyloxy)hexadecanoate

C23H50O4Si2 — CID 553681

IUPACmethyl 10,16-bis(trimethylsilyloxy)hexadecanoate
SMILESCOC(=O)CCCCCCCCC(CCCCCCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-25-23(24)20-16-11-9-8-10-14-18-22(27-29(5,6)7)19-15-12-13-17-21-26-28(2,3)4/h22H,8-21H2,1-7H3
InChIKeyLSNBUNAPGUZSSF-UHFFFAOYSA-N
MW446.82 g/mol
LogP7.30
Rot. Bonds19

About methyl 10,16-bis(trimethylsilyloxy)hexadecanoate

methyl 10,16-bis(trimethylsilyloxy)hexadecanoate (PubChem CID 553681) has the molecular formula C23H50O4Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is methyl 10,16-bis(trimethylsilyloxy)hexadecanoate.

Molecular Properties

Compound Namemethyl 10,16-bis(trimethylsilyloxy)hexadecanoate
PubChem CID553681
Molecular FormulaC23H50O4Si2
Molecular Weight446.82 g/mol
Exact Mass446.32
IUPAC Namemethyl 10,16-bis(trimethylsilyloxy)hexadecanoate
SMILESCOC(=O)CCCCCCCCC(CCCCCCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-25-23(24)20-16-11-9-8-10-14-18-22(27-29(5,6)7)19-15-12-13-17-21-26-28(2,3)4/h22H,8-21H2,1-7H3
InChIKeyLSNBUNAPGUZSSF-UHFFFAOYSA-N
XLogP7.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Trimethylsilyl stearate
CID 87777
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Trimethylsilyl tridecanoate
CID 519342
n-Pentanoic acid, trimethylsilyl ester
CID 523679
Dioctan-2-yl decanedioate
CID 13564892
Sebacic acid, di(oct-3-yl) ester
CID 20129982
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
Decanedioic acid bis-(s-butyl) ester
CID 20535569
Bis(trimethylsilyl) sebacate
CID 519558
Octanedioic acid, bis(trimethylsilyl) ester
CID 521138
Trimethylsilyl tetracosanoate
CID 522540

Frequently Asked Questions

What is the IUPAC name of methyl 10,16-bis(trimethylsilyloxy)hexadecanoate?
The IUPAC name of methyl 10,16-bis(trimethylsilyloxy)hexadecanoate (CID 553681) is methyl 10,16-bis(trimethylsilyloxy)hexadecanoate.
What is the SMILES notation for methyl 10,16-bis(trimethylsilyloxy)hexadecanoate?
The canonical SMILES for methyl 10,16-bis(trimethylsilyloxy)hexadecanoate is COC(=O)CCCCCCCCC(CCCCCCO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 10,16-bis(trimethylsilyloxy)hexadecanoate?
The InChIKey is LSNBUNAPGUZSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O4Si2/c1-25-23(24)20-16-11-9-8-10-14-18-22(27-29(5,6)7)19-15-12-13-17-21-26-28(2,3)4/h22H,8-21H2,1-7H3.
What are the key properties of methyl 10,16-bis(trimethylsilyloxy)hexadecanoate?
methyl 10,16-bis(trimethylsilyloxy)hexadecanoate has a molecular weight of 446.82 g/mol, XLogP of 7.30, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10,16-bis(trimethylsilyloxy)hexadecanoate is sourced from PubChem (CID 553681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).