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

C24H46O5Si — CID 11328201

IUPAC[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate
SMILESCC(=O)[C@H](C/C=C(/C)CCC[C@H](C)COC(=O)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C24H46O5Si/c1-19(11-10-12-20(2)17-28-23(26)24(4,5)6)13-14-22(21(3)25)29-18-27-15-16-30(7,8)9/h13,20,22H,10-12,14-18H2,1-9H3/b19-13-/t20-,22-/m0/s1
InChIKeyIIZLSJPLXNVFPU-FQCMGDKLSA-N
MW442.71 g/mol
LogP6.01
Rot. Bonds15

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

[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate (PubChem CID 11328201) has the molecular formula C24H46O5Si and a molecular weight of 442.71 g/mol. Its IUPAC name is [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate
PubChem CID11328201
Molecular FormulaC24H46O5Si
Molecular Weight442.71 g/mol
Exact Mass442.31
IUPAC Name[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate
SMILESCC(=O)[C@H](C/C=C(/C)CCC[C@H](C)COC(=O)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C24H46O5Si/c1-19(11-10-12-20(2)17-28-23(26)24(4,5)6)13-14-22(21(3)25)29-18-27-15-16-30(7,8)9/h13,20,22H,10-12,14-18H2,1-9H3/b19-13-/t20-,22-/m0/s1
InChIKeyIIZLSJPLXNVFPU-FQCMGDKLSA-N
XLogP6.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.71
LogP ≤ 56.01
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)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate (CID 11328201) is [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate is CC(=O)[C@H](C/C=C(/C)CCC[C@H](C)COC(=O)C(C)(C)C)OCOCC[Si](C)(C)C.
What is the InChIKey of [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate?
The InChIKey is IIZLSJPLXNVFPU-FQCMGDKLSA-N. The full InChI is InChI=1S/C24H46O5Si/c1-19(11-10-12-20(2)17-28-23(26)24(4,5)6)13-14-22(21(3)25)29-18-27-15-16-30(7,8)9/h13,20,22H,10-12,14-18H2,1-9H3/b19-13-/t20-,22-/m0/s1.
What are the key properties of [(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate?
[(Z,2S,9S)-2,6-dimethyl-10-oxo-9-(2-trimethylsilylethoxymethoxy)undec-6-enyl] 2,2-dimethylpropanoate has a molecular weight of 442.71 g/mol, XLogP of 6.01, 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)undec-6-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11328201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).