(Z)-but-2-enedioic acid;dibutyltin;hydron

C12H23O4Sn+ — CID 175099515

IUPAC(Z)-but-2-enedioic acid;dibutyltin;hydron
SMILESCCCC[Sn]CCCC.O=C(O)/C=C\C(=O)O.[H+]
InChIInChI=1S/C4H4O4.2C4H9.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;/p+1/b2-1-;;;
InChIKeyGQEAMFCDHPUBGV-GRHBHMESSA-O
MW350.02 g/mol
LogP2.95
Rot. Bonds8

About (Z)-but-2-enedioic acid;dibutyltin;hydron

(Z)-but-2-enedioic acid;dibutyltin;hydron (PubChem CID 175099515) has the molecular formula C12H23O4Sn+ and a molecular weight of 350.02 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;dibutyltin;hydron.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;dibutyltin;hydron
PubChem CID175099515
Molecular FormulaC12H23O4Sn+
Molecular Weight350.02 g/mol
Exact Mass351.06
IUPAC Name(Z)-but-2-enedioic acid;dibutyltin;hydron
SMILESCCCC[Sn]CCCC.O=C(O)/C=C\C(=O)O.[H+]
InChIInChI=1S/C4H4O4.2C4H9.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;/p+1/b2-1-;;;
InChIKeyGQEAMFCDHPUBGV-GRHBHMESSA-O
XLogP2.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.02
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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dibutyltin;diethyl (Z)-but-2-enedioate
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bis(butan-1-amine);(E)-but-2-enedioic acid
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dibutyltin;tetrakis(dodecanoic acid)
CID 173333361
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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;dibutyltin;hydron?
The IUPAC name of (Z)-but-2-enedioic acid;dibutyltin;hydron (CID 175099515) is (Z)-but-2-enedioic acid;dibutyltin;hydron.
What is the SMILES notation for (Z)-but-2-enedioic acid;dibutyltin;hydron?
The canonical SMILES for (Z)-but-2-enedioic acid;dibutyltin;hydron is CCCC[Sn]CCCC.O=C(O)/C=C\C(=O)O.[H+].
What is the InChIKey of (Z)-but-2-enedioic acid;dibutyltin;hydron?
The InChIKey is GQEAMFCDHPUBGV-GRHBHMESSA-O. The full InChI is InChI=1S/C4H4O4.2C4H9.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;/p+1/b2-1-;;;.
What are the key properties of (Z)-but-2-enedioic acid;dibutyltin;hydron?
(Z)-but-2-enedioic acid;dibutyltin;hydron has a molecular weight of 350.02 g/mol, XLogP of 2.95, 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;dibutyltin;hydron is sourced from PubChem (CID 175099515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).