[(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate

C16H32O3Si — CID 10063396

IUPAC[(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate
SMILESCC[Si](/C=C/[C@@H](O)CCCCCOC(C)=O)(CC)CC
InChIInChI=1S/C16H32O3Si/c1-5-20(6-2,7-3)14-12-16(18)11-9-8-10-13-19-15(4)17/h12,14,16,18H,5-11,13H2,1-4H3/b14-12+/t16-/m0/s1
InChIKeyIQLFUBGUWCKBKU-GRNBYLDVSA-N
MW300.52 g/mol
LogP4.07
Rot. Bonds11

About [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate

[(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate (PubChem CID 10063396) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate.

Molecular Properties

Compound Name[(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate
PubChem CID10063396
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name[(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate
SMILESCC[Si](/C=C/[C@@H](O)CCCCCOC(C)=O)(CC)CC
InChIInChI=1S/C16H32O3Si/c1-5-20(6-2,7-3)14-12-16(18)11-9-8-10-13-19-15(4)17/h12,14,16,18H,5-11,13H2,1-4H3/b14-12+/t16-/m0/s1
InChIKeyIQLFUBGUWCKBKU-GRNBYLDVSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
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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Related Compounds

[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate
CID 10086198
(3R)-non-1-en-3-ol;[(3S)-non-1-en-3-yl] acetate
CID 161146313
[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate
CID 10425811
Acetic acid;2-trimethylsilyltridec-1-en-3-ol
CID 71385505
10-Hydroxydodec-11-enyl acetate
CID 101182250
(6R)-6-Hydroxyoct-7-en-1-yl acetate
CID 165358135

Frequently Asked Questions

What is the IUPAC name of [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate?
The IUPAC name of [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate (CID 10063396) is [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate.
What is the SMILES notation for [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate?
The canonical SMILES for [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate is CC[Si](/C=C/[C@@H](O)CCCCCOC(C)=O)(CC)CC.
What is the InChIKey of [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate?
The InChIKey is IQLFUBGUWCKBKU-GRNBYLDVSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-5-20(6-2,7-3)14-12-16(18)11-9-8-10-13-19-15(4)17/h12,14,16,18H,5-11,13H2,1-4H3/b14-12+/t16-/m0/s1.
What are the key properties of [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate?
[(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate has a molecular weight of 300.52 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate is sourced from PubChem (CID 10063396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).