(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin

C20H37NOSn — CID 141011217

IUPAC(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]C1=CCN(C(C)=O)CC1
InChIInChI=1S/C13H27.C7H10NO.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7(9)8-5-3-2-4-6-8;/h4-12H2,1-3H3;3H,4-6H2,1H3;
InChIKeyZLVITKOOODJINU-UHFFFAOYSA-N
MW426.23 g/mol
LogP5.56
Rot. Bonds11

About (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin

(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin (PubChem CID 141011217) has the molecular formula C20H37NOSn and a molecular weight of 426.23 g/mol. Its IUPAC name is (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin.

Molecular Properties

Compound Name(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin
PubChem CID141011217
Molecular FormulaC20H37NOSn
Molecular Weight426.23 g/mol
Exact Mass427.19
IUPAC Name(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]C1=CCN(C(C)=O)CC1
InChIInChI=1S/C13H27.C7H10NO.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7(9)8-5-3-2-4-6-8;/h4-12H2,1-3H3;3H,4-6H2,1H3;
InChIKeyZLVITKOOODJINU-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.23
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin?
The IUPAC name of (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin (CID 141011217) is (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin.
What is the SMILES notation for (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin?
The canonical SMILES for (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin is CCCCC(CCCC)(CCCC)[Sn]C1=CCN(C(C)=O)CC1.
What is the InChIKey of (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin?
The InChIKey is ZLVITKOOODJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C7H10NO.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7(9)8-5-3-2-4-6-8;/h4-12H2,1-3H3;3H,4-6H2,1H3;.
What are the key properties of (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin?
(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin has a molecular weight of 426.23 g/mol, XLogP of 5.56, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin is sourced from PubChem (CID 141011217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).