ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate

C14H20O2Sn — CID 15881087

IUPACethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C11H11O2.3CH3.Sn/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;;;;/h3-8H,2H2,1H3;3*1H3;
InChIKeyKJZLSOLLJTWNIG-UHFFFAOYSA-N
MW339.02 g/mol
LogP3.51
Rot. Bonds4

About ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate

ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate (PubChem CID 15881087) has the molecular formula C14H20O2Sn and a molecular weight of 339.02 g/mol. Its IUPAC name is ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate
PubChem CID15881087
Molecular FormulaC14H20O2Sn
Molecular Weight339.02 g/mol
Exact Mass340.05
IUPAC Nameethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C11H11O2.3CH3.Sn/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;;;;/h3-8H,2H2,1H3;3*1H3;
InChIKeyKJZLSOLLJTWNIG-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.02
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236
ethyl 2-methylsulfanyl-3-phenylprop-2-enoate
CID 71381071
ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
CID 6279814
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
ethyl (E)-2-methylsulfonyl-3-phenylprop-2-enoate
CID 12604139
ethyl (E)-2-benzoyl-3-phenylprop-2-enoate
CID 5378099
ethyl (2Z)-2-benzylidene-3-hydroxyhexanoate
CID 10422125
ethyl (Z)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 134918551
diethyl (2E,3Z)-2-benzylidene-3-(1-hydroxyethylidene)butanedioate
CID 102207032
diethyl 2-acetyl-4-benzylidenepentanedioate
CID 71411268
ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate (CID 15881087) is ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate is CCOC(=O)/C(=C/c1ccccc1)[Sn](C)(C)C.
What is the InChIKey of ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate?
The InChIKey is KJZLSOLLJTWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O2.3CH3.Sn/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;;;;/h3-8H,2H2,1H3;3*1H3;.
What are the key properties of ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate?
ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate has a molecular weight of 339.02 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate is sourced from PubChem (CID 15881087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).