(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid

C16H30O4Si — CID 102100734

IUPAC(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C/C(=O)O
InChIInChI=1S/C16H30O4Si/c1-7-8-9-10-14(13(17)11-12-15(18)19)20-21(5,6)16(2,3)4/h11-12,14H,7-10H2,1-6H3,(H,18,19)/b12-11+/t14-/m1/s1
InChIKeyZXICCGXKTAXPMI-GCZGRYASSA-N
MW314.50 g/mol
LogP4.17
Rot. Bonds9

About (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid

(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid (PubChem CID 102100734) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid.

Molecular Properties

Compound Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid
PubChem CID102100734
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C/C(=O)O
InChIInChI=1S/C16H30O4Si/c1-7-8-9-10-14(13(17)11-12-15(18)19)20-21(5,6)16(2,3)4/h11-12,14H,7-10H2,1-6H3,(H,18,19)/b12-11+/t14-/m1/s1
InChIKeyZXICCGXKTAXPMI-GCZGRYASSA-N
XLogP4.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.17
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid?
The IUPAC name of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid (CID 102100734) is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid.
What is the SMILES notation for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid?
The canonical SMILES for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid is CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C/C(=O)O.
What is the InChIKey of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid?
The InChIKey is ZXICCGXKTAXPMI-GCZGRYASSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-7-8-9-10-14(13(17)11-12-15(18)19)20-21(5,6)16(2,3)4/h11-12,14H,7-10H2,1-6H3,(H,18,19)/b12-11+/t14-/m1/s1.
What are the key properties of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid?
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid has a molecular weight of 314.50 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enoic acid is sourced from PubChem (CID 102100734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).