tetrakis(3-phenylprop-2-enoate);tin(4+)

C36H28O8Sn — CID 157178082

IUPACtetrakis(3-phenylprop-2-enoate);tin(4+)
SMILESO=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.[Sn+4]
InChIInChI=1S/4C9H8O2.Sn/c4*10-9(11)7-6-8-4-2-1-3-5-8;/h4*1-7H,(H,10,11);/q;;;;+4/p-4
InChIKeyAOGFTQVTPAVCLX-UHFFFAOYSA-J
MW707.32 g/mol
LogP1.42
Rot. Bonds8

About tetrakis(3-phenylprop-2-enoate);tin(4+)

tetrakis(3-phenylprop-2-enoate);tin(4+) (PubChem CID 157178082) has the molecular formula C36H28O8Sn and a molecular weight of 707.32 g/mol. Its IUPAC name is tetrakis(3-phenylprop-2-enoate);tin(4+).

Molecular Properties

Compound Nametetrakis(3-phenylprop-2-enoate);tin(4+)
PubChem CID157178082
Molecular FormulaC36H28O8Sn
Molecular Weight707.32 g/mol
Exact Mass708.08
IUPAC Nametetrakis(3-phenylprop-2-enoate);tin(4+)
SMILESO=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.[Sn+4]
InChIInChI=1S/4C9H8O2.Sn/c4*10-9(11)7-6-8-4-2-1-3-5-8;/h4*1-7H,(H,10,11);/q;;;;+4/p-4
InChIKeyAOGFTQVTPAVCLX-UHFFFAOYSA-J
XLogP1.42
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500707.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium (Z)-3-phenylprop-2-enoate
CID 23717933
barium(2+);bis(3-phenylprop-2-enoate)
CID 57371058
europium(2+);bis(3-phenylprop-2-enoate)
CID 173196474
lithium 3-phenylprop-2-enoate
CID 67041801
2-hydroxypropanoate;(E)-3-phenylprop-2-enoate
CID 21183403
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium
CID 157388324
disodium;4-methylpentanoic acid;bis(3-phenylprop-2-enoate)
CID 174884732
azane;3-phenylprop-2-enoic acid
CID 66894546

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-phenylprop-2-enoate);tin(4+)?
The IUPAC name of tetrakis(3-phenylprop-2-enoate);tin(4+) (CID 157178082) is tetrakis(3-phenylprop-2-enoate);tin(4+).
What is the SMILES notation for tetrakis(3-phenylprop-2-enoate);tin(4+)?
The canonical SMILES for tetrakis(3-phenylprop-2-enoate);tin(4+) is O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.[Sn+4].
What is the InChIKey of tetrakis(3-phenylprop-2-enoate);tin(4+)?
The InChIKey is AOGFTQVTPAVCLX-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H8O2.Sn/c4*10-9(11)7-6-8-4-2-1-3-5-8;/h4*1-7H,(H,10,11);/q;;;;+4/p-4.
What are the key properties of tetrakis(3-phenylprop-2-enoate);tin(4+)?
tetrakis(3-phenylprop-2-enoate);tin(4+) has a molecular weight of 707.32 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-phenylprop-2-enoate);tin(4+) is sourced from PubChem (CID 157178082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).