(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane

C12H22Cl2O4Sn — CID 162328803

IUPAC(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane
SMILESCCCC[Sn](Cl)(Cl)CCCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.2C4H9.2ClH.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;;;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;2*1H;/q;;;;;+2/p-2/b2-1-;;;;;
InChIKeySUZILOGKFMVOEN-XBOSCTMBSA-L
MW419.92 g/mol
LogP4.22
Rot. Bonds8

About (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane

(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane (PubChem CID 162328803) has the molecular formula C12H22Cl2O4Sn and a molecular weight of 419.92 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane
PubChem CID162328803
Molecular FormulaC12H22Cl2O4Sn
Molecular Weight419.92 g/mol
Exact Mass419.99
IUPAC Name(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane
SMILESCCCC[Sn](Cl)(Cl)CCCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.2C4H9.2ClH.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;;;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;2*1H;/q;;;;;+2/p-2/b2-1-;;;;;
InChIKeySUZILOGKFMVOEN-XBOSCTMBSA-L
XLogP4.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;undecane
CID 157202832
dibutyl(dichloro)stannane;dihydrochloride
CID 174960716
bis(butan-1-amine);(E)-but-2-enedioic acid
CID 173276873
butan-1-amine;(Z)-but-2-enedioic acid
CID 173351096
(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid
CID 16695701
1-[butyl(dichloro)stannyl]nonan-3-one
CID 10949094
1-[butyl(dichloro)stannyl]-4-methylpentan-3-one
CID 15724292
(Z)-but-2-enedioic acid;bis(N,N-dibutylbutan-1-amine)
CID 173189126
(Z)-but-2-enedioic acid;hex-1-ene
CID 88803963
CID 6328545
CID 6328545
(E)-but-2-enedioic acid;gold(1+);octadecane
CID 162691149
but-2-enoic acid;tetracosane
CID 159276528

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane?
The IUPAC name of (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane (CID 162328803) is (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane.
What is the SMILES notation for (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane?
The canonical SMILES for (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane is CCCC[Sn](Cl)(Cl)CCCC.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane?
The InChIKey is SUZILOGKFMVOEN-XBOSCTMBSA-L. The full InChI is InChI=1S/C4H4O4.2C4H9.2ClH.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;;;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;2*1H;/q;;;;;+2/p-2/b2-1-;;;;;.
What are the key properties of (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane?
(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane has a molecular weight of 419.92 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;dibutyl(dichloro)stannane is sourced from PubChem (CID 162328803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).