methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate

C24H50O3Si — CID 526836

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

About methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate

methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate (PubChem CID 526836) has the molecular formula C24H50O3Si and a molecular weight of 414.75 g/mol. Its IUPAC name is methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate.

Molecular Properties

Compound Namemethyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
PubChem CID526836
Molecular FormulaC24H50O3Si
Molecular Weight414.75 g/mol
Exact Mass414.35
IUPAC Namemethyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
SMILESCCCCCCCC(CCCCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O3Si/c1-8-9-10-13-16-19-22(27-28(6,7)24(2,3)4)20-17-14-11-12-15-18-21-23(25)26-5/h22H,8-21H2,1-7H3
InChIKeyNQHGHQGRJSFAKX-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 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 16-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526817
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391
methyl (13R)-13-methoxynonadecanoate
CID 163048020
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
CID 11843719
methyl 13-hexadecanoyloxyoctadecanoate
CID 175533930
methyl 9,10,12-tris(trimethylsilyloxy)octadecanoate
CID 71372132

Frequently Asked Questions

What is the IUPAC name of methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
The IUPAC name of methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate (CID 526836) is methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate.
What is the SMILES notation for methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
The canonical SMILES for methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate is CCCCCCCC(CCCCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
The InChIKey is NQHGHQGRJSFAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3Si/c1-8-9-10-13-16-19-22(27-28(6,7)24(2,3)4)20-17-14-11-12-15-18-21-23(25)26-5/h22H,8-21H2,1-7H3.
What are the key properties of methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate?
methyl 10-[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 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate is sourced from PubChem (CID 526836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).