(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid

C16H34O3Si — CID 166449040

IUPAC(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid
SMILESCCCCC[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4/h14H,7-13H2,1-6H3,(H,17,18)/t14-/m1/s1
InChIKeyYBDLIRUYVDJISH-CQSZACIVSA-N
MW302.53 g/mol
LogP5.21
Rot. Bonds10

About (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid

(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid (PubChem CID 166449040) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid.

Molecular Properties

Compound Name(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid
PubChem CID166449040
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid
SMILESCCCCC[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4/h14H,7-13H2,1-6H3,(H,17,18)/t14-/m1/s1
InChIKeyYBDLIRUYVDJISH-CQSZACIVSA-N
XLogP5.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
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

5-Hydroxyoctadecanoic acid
CID 5282909
5-Hydroxyhexadecanoic acid
CID 5312761
5-Hydroxytetracosanoic acid
CID 101533661
delta-Hydroxy hexacosanoic acid
CID 129856505
5-Hydroxyoctacosanoic acid
CID 163192257
5-Hydroxynonacosanoic acid
CID 163192592
5-Hydroxytriacontanoic acid
CID 163192769
5-Hydroxypentacosanoic acid
CID 163192805
5-Hydroxyheptacosanoic acid
CID 163195746
5-((Tert-butyldimethylsilyl)oxy)hexanoic acid
CID 123255894
6-[(Tert-butyldimethylsilyl)oxy]heptanoic acid
CID 132608059
5-Hydroxyoctadecanoate
CID 126456525

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid?
The IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid (CID 166449040) is (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid.
What is the SMILES notation for (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid?
The canonical SMILES for (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid is CCCCC[C@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid?
The InChIKey is YBDLIRUYVDJISH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4/h14H,7-13H2,1-6H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid?
(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid has a molecular weight of 302.53 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid is sourced from PubChem (CID 166449040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).