tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane

C21H41NOSn — CID 14250114

IUPACtributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCOCC2)CC1
InChIInChI=1S/C9H14NO.3C4H9.Sn/c1-2-4-9(3-1)10-5-7-11-8-6-10;3*1-3-4-2;/h1,3H,2,4-8H2;3*1,3-4H2,2H3;
InChIKeyOUUCJUJPFCDBOX-UHFFFAOYSA-N
MW442.28 g/mol
LogP6.22
Rot. Bonds11

About tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane

tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane (PubChem CID 14250114) has the molecular formula C21H41NOSn and a molecular weight of 442.28 g/mol. Its IUPAC name is tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane.

Molecular Properties

Compound Nametributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane
PubChem CID14250114
Molecular FormulaC21H41NOSn
Molecular Weight442.28 g/mol
Exact Mass443.22
IUPAC Nametributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCOCC2)CC1
InChIInChI=1S/C9H14NO.3C4H9.Sn/c1-2-4-9(3-1)10-5-7-11-8-6-10;3*1-3-4-2;/h1,3H,2,4-8H2;3*1,3-4H2,2H3;
InChIKeyOUUCJUJPFCDBOX-UHFFFAOYSA-N
XLogP6.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.28
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane?
The IUPAC name of tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane (CID 14250114) is tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane.
What is the SMILES notation for tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane?
The canonical SMILES for tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1C=C(N2CCOCC2)CC1.
What is the InChIKey of tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane?
The InChIKey is OUUCJUJPFCDBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO.3C4H9.Sn/c1-2-4-9(3-1)10-5-7-11-8-6-10;3*1-3-4-2;/h1,3H,2,4-8H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane?
tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane has a molecular weight of 442.28 g/mol, XLogP of 6.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-morpholin-4-ylcyclopent-2-en-1-yl)stannane is sourced from PubChem (CID 14250114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).