[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate

C24H50O3Si — CID 10669508

IUPAC[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
SMILESCCCCC[C@@H](CCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C24H50O3Si/c1-8-9-16-19-23(27-22(2)25)20-17-14-12-10-11-13-15-18-21-26-28(6,7)24(3,4)5/h23H,8-21H2,1-7H3/t23-/m0/s1
InChIKeyIGLRESLVRDLQEM-QHCPKHFHSA-N
MW414.75 g/mol
LogP8.03
Rot. Bonds17

About [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate

[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate (PubChem CID 10669508) has the molecular formula C24H50O3Si and a molecular weight of 414.75 g/mol. Its IUPAC name is [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate.

Molecular Properties

Compound Name[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
PubChem CID10669508
Molecular FormulaC24H50O3Si
Molecular Weight414.75 g/mol
Exact Mass414.35
IUPAC Name[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
SMILESCCCCC[C@@H](CCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C24H50O3Si/c1-8-9-16-19-23(27-22(2)25)20-17-14-12-10-11-13-15-18-21-26-28(6,7)24(3,4)5/h23H,8-21H2,1-7H3/t23-/m0/s1
InChIKeyIGLRESLVRDLQEM-QHCPKHFHSA-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'}

Analyze [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
[(4R)-4-acetyloxydecyl] acetate
CID 87160095
[(4R)-1-iodopentadecan-4-yl] acetate
CID 10386040
16-hydroxyhexadecan-8-yl acetate
CID 175427631
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
[(3S)-nonan-3-yl] acetate
CID 76967958
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
[(Z,5S,6S)-6-acetyloxy-12-[tert-butyl(dimethyl)silyl]oxydodec-7-en-5-yl] acetate
CID 10573856
9-(10-acetyloxyoctadecanoyloxy)nonyl 9-acetyloxyoctadecanoate
CID 166582077
icosan-9-yl 2,2-dimethylpropanoate;pentyl acetate
CID 157301449

Frequently Asked Questions

What is the IUPAC name of [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate?
The IUPAC name of [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate (CID 10669508) is [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate.
What is the SMILES notation for [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate?
The canonical SMILES for [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate is CCCCC[C@@H](CCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate?
The InChIKey is IGLRESLVRDLQEM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H50O3Si/c1-8-9-16-19-23(27-22(2)25)20-17-14-12-10-11-13-15-18-21-26-28(6,7)24(3,4)5/h23H,8-21H2,1-7H3/t23-/m0/s1.
What are the key properties of [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate?
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate 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 [(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate is sourced from PubChem (CID 10669508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).