[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate

C23H44O5Si — CID 11750743

IUPAC[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C/C[C@@H](C=O)OCOCC[Si](C)(C)C)CCC[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C23H44O5Si/c1-19(10-9-11-20(2)17-27-22(25)23(3,4)5)12-13-21(16-24)28-18-26-14-15-29(6,7)8/h12,16,20-21H,9-11,13-15,17-18H2,1-8H3/b19-12-/t20-,21-/m0/s1
InChIKeyPJCZNYVGOYPTCD-YABWQAOZSA-N
MW428.69 g/mol
LogP5.61
Rot. Bonds15

About [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate

[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate (PubChem CID 11750743) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate
PubChem CID11750743
Molecular FormulaC23H44O5Si
Molecular Weight428.69 g/mol
Exact Mass428.30
IUPAC Name[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C/C[C@@H](C=O)OCOCC[Si](C)(C)C)CCC[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C23H44O5Si/c1-19(10-9-11-20(2)17-27-22(25)23(3,4)5)12-13-21(16-24)28-18-26-14-15-29(6,7)8/h12,16,20-21H,9-11,13-15,17-18H2,1-8H3/b19-12-/t20-,21-/m0/s1
InChIKeyPJCZNYVGOYPTCD-YABWQAOZSA-N
XLogP5.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate (CID 11750743) is [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate is C/C(=C/C[C@@H](C=O)OCOCC[Si](C)(C)C)CCC[C@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
The InChIKey is PJCZNYVGOYPTCD-YABWQAOZSA-N. The full InChI is InChI=1S/C23H44O5Si/c1-19(10-9-11-20(2)17-27-22(25)23(3,4)5)12-13-21(16-24)28-18-26-14-15-29(6,7)8/h12,16,20-21H,9-11,13-15,17-18H2,1-8H3/b19-12-/t20-,21-/m0/s1.
What are the key properties of [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate has a molecular weight of 428.69 g/mol, XLogP of 5.61, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11750743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).