dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one

C15H25NO2Sn — CID 5388208

IUPACdibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
SMILESCCCC[Sn]CCCC.O=C1C=CC=C/C1=C/NO
InChIInChI=1S/C7H7NO2.2C4H9.Sn/c9-7-4-2-1-3-6(7)5-8-10;2*1-3-4-2;/h1-5,8,10H;2*1,3-4H2,2H3;/b6-5-;;;
InChIKeyRPDBBKQWJSDNOE-WTUPQPTJSA-N
MW370.08 g/mol
LogP3.67
Rot. Bonds7

About dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one

dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5388208) has the molecular formula C15H25NO2Sn and a molecular weight of 370.08 g/mol. Its IUPAC name is dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namedibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
PubChem CID5388208
Molecular FormulaC15H25NO2Sn
Molecular Weight370.08 g/mol
Exact Mass371.09
IUPAC Namedibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
SMILESCCCC[Sn]CCCC.O=C1C=CC=C/C1=C/NO
InChIInChI=1S/C7H7NO2.2C4H9.Sn/c9-7-4-2-1-3-6(7)5-8-10;2*1-3-4-2;/h1-5,8,10H;2*1,3-4H2,2H3;/b6-5-;;;
InChIKeyRPDBBKQWJSDNOE-WTUPQPTJSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.08
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one (CID 5388208) is dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one is CCCC[Sn]CCCC.O=C1C=CC=C/C1=C/NO.
What is the InChIKey of dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is RPDBBKQWJSDNOE-WTUPQPTJSA-N. The full InChI is InChI=1S/C7H7NO2.2C4H9.Sn/c9-7-4-2-1-3-6(7)5-8-10;2*1-3-4-2;/h1-5,8,10H;2*1,3-4H2,2H3;/b6-5-;;;.
What are the key properties of dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one?
dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 370.08 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5388208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).