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

C18H38O3Si — CID 91752590

IUPAC[tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate
SMILESCCCCCCCCCC(O)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-7-8-9-10-11-12-13-14-16(19)15-17(20)21-22(5,6)18(2,3)4/h16,19H,7-15H2,1-6H3
InChIKeyWZPSLVZRQHKOGB-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.43
Rot. Bonds11

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

[tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate (PubChem CID 91752590) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate
PubChem CID91752590
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name[tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate
SMILESCCCCCCCCCC(O)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-7-8-9-10-11-12-13-14-16(19)15-17(20)21-22(5,6)18(2,3)4/h16,19H,7-15H2,1-6H3
InChIKeyWZPSLVZRQHKOGB-UHFFFAOYSA-N
XLogP5.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.43
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-hydroxydodecanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate (CID 91752590) is [tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate is CCCCCCCCCC(O)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate?
The InChIKey is WZPSLVZRQHKOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-7-8-9-10-11-12-13-14-16(19)15-17(20)21-22(5,6)18(2,3)4/h16,19H,7-15H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate?
[tert-butyl(dimethyl)silyl] 3-hydroxydodecanoate has a molecular weight of 330.59 g/mol, XLogP of 5.43, 11 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-hydroxydodecanoate is sourced from PubChem (CID 91752590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).