[dimethyl(propan-2-yl)silyl] hexadecanoate

C21H44O2Si — CID 628588

IUPAC[dimethyl(propan-2-yl)silyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C21H44O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-24(4,5)20(2)3/h20H,6-19H2,1-5H3
InChIKeyPFMJMHGXOGBHHQ-UHFFFAOYSA-N
MW356.67 g/mol
LogP7.63
Rot. Bonds16

About [dimethyl(propan-2-yl)silyl] hexadecanoate

[dimethyl(propan-2-yl)silyl] hexadecanoate (PubChem CID 628588) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is [dimethyl(propan-2-yl)silyl] hexadecanoate.

Molecular Properties

Compound Name[dimethyl(propan-2-yl)silyl] hexadecanoate
PubChem CID628588
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name[dimethyl(propan-2-yl)silyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C21H44O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-24(4,5)20(2)3/h20H,6-19H2,1-5H3
InChIKeyPFMJMHGXOGBHHQ-UHFFFAOYSA-N
XLogP7.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.63
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

trimethylsilyl icosanoate
CID 521648
trimethylsilyl 8-methyltetradecanoate
CID 526098
trimethylsilyl 10-methyltricosanoate
CID 91747658
[dimethyl(trimethylsilyl)silyl] heptanoate
CID 554818
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
tri(propan-2-yl)silyl (Z)-octadec-9-enoate
CID 156904918
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[chloromethyl(dimethyl)silyl] octanoate
CID 554833
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
trimethylsilyl tricosa-10,12-diynoate
CID 91696389

Frequently Asked Questions

What is the IUPAC name of [dimethyl(propan-2-yl)silyl] hexadecanoate?
The IUPAC name of [dimethyl(propan-2-yl)silyl] hexadecanoate (CID 628588) is [dimethyl(propan-2-yl)silyl] hexadecanoate.
What is the SMILES notation for [dimethyl(propan-2-yl)silyl] hexadecanoate?
The canonical SMILES for [dimethyl(propan-2-yl)silyl] hexadecanoate is CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)C.
What is the InChIKey of [dimethyl(propan-2-yl)silyl] hexadecanoate?
The InChIKey is PFMJMHGXOGBHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-24(4,5)20(2)3/h20H,6-19H2,1-5H3.
What are the key properties of [dimethyl(propan-2-yl)silyl] hexadecanoate?
[dimethyl(propan-2-yl)silyl] hexadecanoate has a molecular weight of 356.67 g/mol, XLogP of 7.63, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propan-2-yl)silyl] hexadecanoate is sourced from PubChem (CID 628588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).