ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate

C19H30O3Sn — CID 71320891

IUPACethyl 5-phenyl-3-triethylstannyloxypent-4-enoate
SMILESCCOC(=O)CC(C=Cc1ccccc1)O[Sn](CC)(CC)CC
InChIInChI=1S/C13H15O3.3C2H5.Sn/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11;3*1-2;/h3-9,12H,2,10H2,1H3;3*1H2,2H3;/q-1;;;;+1
InChIKeyFTNFFMSBLHNPIK-UHFFFAOYSA-N
MW425.16 g/mol
LogP5.04
Rot. Bonds10

About ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate

ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate (PubChem CID 71320891) has the molecular formula C19H30O3Sn and a molecular weight of 425.16 g/mol. Its IUPAC name is ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate.

Molecular Properties

Compound Nameethyl 5-phenyl-3-triethylstannyloxypent-4-enoate
PubChem CID71320891
Molecular FormulaC19H30O3Sn
Molecular Weight425.16 g/mol
Exact Mass426.12
IUPAC Nameethyl 5-phenyl-3-triethylstannyloxypent-4-enoate
SMILESCCOC(=O)CC(C=Cc1ccccc1)O[Sn](CC)(CC)CC
InChIInChI=1S/C13H15O3.3C2H5.Sn/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11;3*1-2;/h3-9,12H,2,10H2,1H3;3*1H2,2H3;/q-1;;;;+1
InChIKeyFTNFFMSBLHNPIK-UHFFFAOYSA-N
XLogP5.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.16
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl acetate;stilbene
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ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
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ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
ethyl 3-hydroxy-3-[4-methyl-2-(2-phenylethenyl)phenyl]propanoate
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ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate?
The IUPAC name of ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate (CID 71320891) is ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate.
What is the SMILES notation for ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate?
The canonical SMILES for ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate is CCOC(=O)CC(C=Cc1ccccc1)O[Sn](CC)(CC)CC.
What is the InChIKey of ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate?
The InChIKey is FTNFFMSBLHNPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O3.3C2H5.Sn/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11;3*1-2;/h3-9,12H,2,10H2,1H3;3*1H2,2H3;/q-1;;;;+1.
What are the key properties of ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate?
ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate has a molecular weight of 425.16 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate is sourced from PubChem (CID 71320891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).