bis(tributylstannyl) (Z)-but-2-enedioate

C28H56O4Sn2 — CID 16682777

IUPACbis(tributylstannyl) (Z)-but-2-enedioate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)/C=C\C(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/b2-1-;;;;;;;;
InChIKeyYABTYYUIWFCMDW-DYNMZUSMSA-L
MW694.17 g/mol
LogP9.32
Rot. Bonds22

About bis(tributylstannyl) (Z)-but-2-enedioate

bis(tributylstannyl) (Z)-but-2-enedioate (PubChem CID 16682777) has the molecular formula C28H56O4Sn2 and a molecular weight of 694.17 g/mol. Its IUPAC name is bis(tributylstannyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(tributylstannyl) (Z)-but-2-enedioate
PubChem CID16682777
Molecular FormulaC28H56O4Sn2
Molecular Weight694.17 g/mol
Exact Mass696.22
IUPAC Namebis(tributylstannyl) (Z)-but-2-enedioate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)/C=C\C(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/b2-1-;;;;;;;;
InChIKeyYABTYYUIWFCMDW-DYNMZUSMSA-L
XLogP9.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.17
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid
CID 16695701
1-O-butyl 4-O-tributylstannyl but-2-enedioate
CID 16684816
1-O-(2-acetyloxyethyl) 4-O-tributylstannyl (Z)-but-2-enedioate
CID 88759898
tributylstannyl (E)-3-phenylprop-2-enoate
CID 16687405
trihexylstannyl prop-2-enoate
CID 71366207
4-O-[butyl-bis[(4-ethoxy-4-oxobut-2-enoyl)oxy]stannyl] 1-O-ethyl but-2-enedioate
CID 53428600
tributylstannyl (Z)-3-iodo-4-methoxybut-2-enoate
CID 16688054
4-O-[dibutyl-(4-oxo-4-propoxybut-2-enoyl)oxystannyl] 1-O-propyl but-2-enedioate
CID 73307682
1-O-decyl 4-O-[dibutyl-(4-decoxy-4-oxobut-2-enoyl)oxystannyl] but-2-enedioate
CID 53436364
4-O-[butyl-bis[[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxy]stannyl] 1-O-tetradecyl but-2-enedioate
CID 139597082
4-O-[dibutyl-(4-hexadecoxy-4-oxobut-2-enoyl)oxystannyl] 1-O-hexadecyl but-2-enedioate
CID 53436616
tripentylstannyl acetate
CID 16684347

Frequently Asked Questions

What is the IUPAC name of bis(tributylstannyl) (Z)-but-2-enedioate?
The IUPAC name of bis(tributylstannyl) (Z)-but-2-enedioate (CID 16682777) is bis(tributylstannyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(tributylstannyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(tributylstannyl) (Z)-but-2-enedioate is CCCC[Sn](CCCC)(CCCC)OC(=O)/C=C\C(=O)O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of bis(tributylstannyl) (Z)-but-2-enedioate?
The InChIKey is YABTYYUIWFCMDW-DYNMZUSMSA-L. The full InChI is InChI=1S/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/b2-1-;;;;;;;;.
What are the key properties of bis(tributylstannyl) (Z)-but-2-enedioate?
bis(tributylstannyl) (Z)-but-2-enedioate has a molecular weight of 694.17 g/mol, XLogP of 9.32, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tributylstannyl) (Z)-but-2-enedioate is sourced from PubChem (CID 16682777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).