[tert-butyl(dimethyl)silyl] 3-hydroxydecanoate

C16H34O3Si — CID 91752588

IUPAC[tert-butyl(dimethyl)silyl] 3-hydroxydecanoate
SMILESCCCCCCCC(O)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-7-8-9-10-11-12-14(17)13-15(18)19-20(5,6)16(2,3)4/h14,17H,7-13H2,1-6H3
InChIKeyJOYUERVIGPNIEX-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.65
Rot. Bonds9

About [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate

[tert-butyl(dimethyl)silyl] 3-hydroxydecanoate (PubChem CID 91752588) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-hydroxydecanoate
PubChem CID91752588
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name[tert-butyl(dimethyl)silyl] 3-hydroxydecanoate
SMILESCCCCCCCC(O)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-7-8-9-10-11-12-14(17)13-15(18)19-20(5,6)16(2,3)4/h14,17H,7-13H2,1-6H3
InChIKeyJOYUERVIGPNIEX-UHFFFAOYSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
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

3-Hydroxyhexadecanoic acid
CID 301590
3R-Hydroxypalmitic acid
CID 15569776
Methyl 3-hydroxyhexadecanoate
CID 103553
3-Hydroxyoctadecanoic acid
CID 5282907
(S)-beta-hydroxypalmitic acid
CID 10989404
(R)-3-Hydroxy-Octadecanoic acid
CID 5312838
3-Hydroxyeicosanoic acid
CID 5282918
3-Hydroxydocosanoic acid
CID 5282921
3,12-Dihydroxyhexadecanoic acid
CID 125639
3-Hydroxytetracosanoic acid
CID 5312781
Eicosanoic acid, 3-hydroxy-, (R)-
CID 5312808
(S)-3-hydroxystearic acid
CID 54199934

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate (CID 91752588) is [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate is CCCCCCCC(O)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate?
The InChIKey is JOYUERVIGPNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-7-8-9-10-11-12-14(17)13-15(18)19-20(5,6)16(2,3)4/h14,17H,7-13H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate?
[tert-butyl(dimethyl)silyl] 3-hydroxydecanoate has a molecular weight of 302.53 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-hydroxydecanoate is sourced from PubChem (CID 91752588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).