[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate

C20H38O3Si — CID 140738641

IUPAC[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
SMILESC=C=C(C)C[C@@H](CCCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-11-16(2)15-17(23-24(9,10)20(6,7)8)13-12-14-22-18(21)19(3,4)5/h17H,1,12-15H2,2-10H3/t17-/m1/s1
InChIKeyGPEGWGKDUODKBU-QGZVFWFLSA-N
MW354.61 g/mol
LogP5.87
Rot. Bonds8

About [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate

[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate (PubChem CID 140738641) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
PubChem CID140738641
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
SMILESC=C=C(C)C[C@@H](CCCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-11-16(2)15-17(23-24(9,10)20(6,7)8)13-12-14-22-18(21)19(3,4)5/h17H,1,12-15H2,2-10H3/t17-/m1/s1
InChIKeyGPEGWGKDUODKBU-QGZVFWFLSA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.87
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate (CID 140738641) is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate is C=C=C(C)C[C@@H](CCCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate?
The InChIKey is GPEGWGKDUODKBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-11-16(2)15-17(23-24(9,10)20(6,7)8)13-12-14-22-18(21)19(3,4)5/h17H,1,12-15H2,2-10H3/t17-/m1/s1.
What are the key properties of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate?
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate has a molecular weight of 354.61 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 140738641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).