methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)

C24H26O8Sn — CID 101318155

IUPACmethane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)
SMILESC.C.O=C([O-])/C=C\C(=O)OCc1ccccc1.O=C([O-])/C=C\C(=O)OCc1ccccc1.[Sn+2]
InChIInChI=1S/2C11H10O4.2CH4.Sn/c2*12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;;;/h2*1-7H,8H2,(H,12,13);2*1H4;/q;;;;+2/p-2/b2*7-6-;;;
InChIKeyUEZLZSWWJLIQHK-KUAKSMGGSA-L
MW561.18 g/mol
LogP0.96
Rot. Bonds8

About methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)

methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+) (PubChem CID 101318155) has the molecular formula C24H26O8Sn and a molecular weight of 561.18 g/mol. Its IUPAC name is methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+).

Molecular Properties

Compound Namemethane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)
PubChem CID101318155
Molecular FormulaC24H26O8Sn
Molecular Weight561.18 g/mol
Exact Mass562.06
IUPAC Namemethane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)
SMILESC.C.O=C([O-])/C=C\C(=O)OCc1ccccc1.O=C([O-])/C=C\C(=O)OCc1ccccc1.[Sn+2]
InChIInChI=1S/2C11H10O4.2CH4.Sn/c2*12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;;;/h2*1-7H,8H2,(H,12,13);2*1H4;/q;;;;+2/p-2/b2*7-6-;;;
InChIKeyUEZLZSWWJLIQHK-KUAKSMGGSA-L
XLogP0.96
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.18
LogP ≤ 50.96
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

4-oxo-4-phenylmethoxybut-2-enoate
CID 53421494
azane;4-oxo-4-phenylmethoxybut-2-enoic acid
CID 77366810
dibenzyl (Z)-but-2-enedioate;diphenyl (Z)-but-2-enedioate
CID 160774605
1-O-benzyl 4-O-fluoro (E)-but-2-enedioate
CID 174410585
benzyl (E)-3-aminoprop-2-enoate
CID 12649137
1-O-benzyl 4-O-nitro (Z)-but-2-enedioate
CID 174849176
benzyl (E)-but-2-enoate
CID 5356259
benzyl (E)-3-methoxyprop-2-enoate
CID 23124979
benzyl (E)-3-cyanoprop-2-enoate
CID 15285348
dibutyltin(2+);4-dodecoxy-4-oxobut-2-enoate;4-oxo-4-phenylmethoxybut-2-enoate
CID 70523715
benzyl hex-2-enoate
CID 3828590
4-O-benzyl 1-O-decyl (Z)-but-2-enedioate
CID 5369272

Frequently Asked Questions

What is the IUPAC name of methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)?
The IUPAC name of methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+) (CID 101318155) is methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+).
What is the SMILES notation for methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)?
The canonical SMILES for methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+) is C.C.O=C([O-])/C=C\C(=O)OCc1ccccc1.O=C([O-])/C=C\C(=O)OCc1ccccc1.[Sn+2].
What is the InChIKey of methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)?
The InChIKey is UEZLZSWWJLIQHK-KUAKSMGGSA-L. The full InChI is InChI=1S/2C11H10O4.2CH4.Sn/c2*12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;;;/h2*1-7H,8H2,(H,12,13);2*1H4;/q;;;;+2/p-2/b2*7-6-;;;.
What are the key properties of methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)?
methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+) has a molecular weight of 561.18 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+) is sourced from PubChem (CID 101318155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).