methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate

C24H50O3Si — CID 526792

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
SMILESCCCCCCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(25)26-5)27-28(6,7)24(2,3)4/h22H,8-21H2,1-7H3
InChIKeyOFIONSPXDHDDOA-UHFFFAOYSA-N
MW414.75 g/mol
LogP8.03
Rot. Bonds17

About methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate (PubChem CID 526792) has the molecular formula C24H50O3Si and a molecular weight of 414.75 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
PubChem CID526792
Molecular FormulaC24H50O3Si
Molecular Weight414.75 g/mol
Exact Mass414.35
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
SMILESCCCCCCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(25)26-5)27-28(6,7)24(2,3)4/h22H,8-21H2,1-7H3
InChIKeyOFIONSPXDHDDOA-UHFFFAOYSA-N
XLogP8.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.75
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
Methyl 3-methoxytetradecanoate
CID 554272
Methyl 3-methoxyoctadecanoate
CID 554628
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate (CID 526792) is methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate is CCCCCCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
The InChIKey is OFIONSPXDHDDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(25)26-5)27-28(6,7)24(2,3)4/h22H,8-21H2,1-7H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate has a molecular weight of 414.75 g/mol, XLogP of 8.03, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxyheptadecanoate is sourced from PubChem (CID 526792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).