[(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate

C29H60O5Si2 — CID 11318762

IUPAC[(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C/C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)CCC[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C29H60O5Si2/c1-24(15-14-16-25(2)21-32-27(30)28(3,4)5)17-18-26(22-34-36(12,13)29(6,7)8)33-23-31-19-20-35(9,10)11/h17,25-26H,14-16,18-23H2,1-13H3/b24-17-/t25-,26-/m0/s1
InChIKeyIEDKQABARNKBFK-DZDNEBMNSA-N
MW544.97 g/mol
LogP8.44
Rot. Bonds17

About [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate

[(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate (PubChem CID 11318762) has the molecular formula C29H60O5Si2 and a molecular weight of 544.97 g/mol. Its IUPAC name is [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate
PubChem CID11318762
Molecular FormulaC29H60O5Si2
Molecular Weight544.97 g/mol
Exact Mass544.40
IUPAC Name[(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C/C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)CCC[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C29H60O5Si2/c1-24(15-14-16-25(2)21-32-27(30)28(3,4)5)17-18-26(22-34-36(12,13)29(6,7)8)33-23-31-19-20-35(9,10)11/h17,25-26H,14-16,18-23H2,1-13H3/b24-17-/t25-,26-/m0/s1
InChIKeyIEDKQABARNKBFK-DZDNEBMNSA-N
XLogP8.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.97
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate (CID 11318762) is [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate is C/C(=C/C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)CCC[C@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
The InChIKey is IEDKQABARNKBFK-DZDNEBMNSA-N. The full InChI is InChI=1S/C29H60O5Si2/c1-24(15-14-16-25(2)21-32-27(30)28(3,4)5)17-18-26(22-34-36(12,13)29(6,7)8)33-23-31-19-20-35(9,10)11/h17,25-26H,14-16,18-23H2,1-13H3/b24-17-/t25-,26-/m0/s1.
What are the key properties of [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate?
[(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate has a molecular weight of 544.97 g/mol, XLogP of 8.44, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11318762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).