(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid

C17H34O3Si — CID 53342052

IUPAC(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid
SMILESC=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C(=O)O
InChIInChI=1S/C17H34O3Si/c1-9-10-15(20-21(7,8)17(4,5)6)12-13(2)11-14(3)16(18)19/h14-15H,2,9-12H2,1,3-8H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyHCPIVHIRQQXWDL-HUUCEWRRSA-N
MW314.54 g/mol
LogP5.23
Rot. Bonds9

About (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid

(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid (PubChem CID 53342052) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid.

Molecular Properties

Compound Name(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid
PubChem CID53342052
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid
SMILESC=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C(=O)O
InChIInChI=1S/C17H34O3Si/c1-9-10-15(20-21(7,8)17(4,5)6)12-13(2)11-14(3)16(18)19/h14-15H,2,9-12H2,1,3-8H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyHCPIVHIRQQXWDL-HUUCEWRRSA-N
XLogP5.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid?
The IUPAC name of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid (CID 53342052) is (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid.
What is the SMILES notation for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid?
The canonical SMILES for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid is C=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid?
The InChIKey is HCPIVHIRQQXWDL-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-10-15(20-21(7,8)17(4,5)6)12-13(2)11-14(3)16(18)19/h14-15H,2,9-12H2,1,3-8H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid?
(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid has a molecular weight of 314.54 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid is sourced from PubChem (CID 53342052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).