[(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate

C13H26O3Si — CID 135042727

IUPAC[(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate
SMILESCC[Si](CC)(CC)OC/C=C\[C@@H](C)OC(C)=O
InChIInChI=1S/C13H26O3Si/c1-6-17(7-2,8-3)15-11-9-10-12(4)16-13(5)14/h9-10,12H,6-8,11H2,1-5H3/b10-9-/t12-/m1/s1
InChIKeyCCMFZSDTGNATLR-ZWLSGLHFSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds8

About [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate

[(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate (PubChem CID 135042727) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate
PubChem CID135042727
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name[(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate
SMILESCC[Si](CC)(CC)OC/C=C\[C@@H](C)OC(C)=O
InChIInChI=1S/C13H26O3Si/c1-6-17(7-2,8-3)15-11-9-10-12(4)16-13(5)14/h9-10,12H,6-8,11H2,1-5H3/b10-9-/t12-/m1/s1
InChIKeyCCMFZSDTGNATLR-ZWLSGLHFSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
[(E)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 10774833
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497

Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate?
The IUPAC name of [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate (CID 135042727) is [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate.
What is the SMILES notation for [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate?
The canonical SMILES for [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate is CC[Si](CC)(CC)OC/C=C\[C@@H](C)OC(C)=O.
What is the InChIKey of [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate?
The InChIKey is CCMFZSDTGNATLR-ZWLSGLHFSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-6-17(7-2,8-3)15-11-9-10-12(4)16-13(5)14/h9-10,12H,6-8,11H2,1-5H3/b10-9-/t12-/m1/s1.
What are the key properties of [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate?
[(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate is sourced from PubChem (CID 135042727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).