1-[butyl(dichloro)stannyl]nonan-3-one

C13H26Cl2OSn — CID 10949094

IUPAC1-[butyl(dichloro)stannyl]nonan-3-one
SMILESCCCCCCC(=O)CC[Sn](Cl)(Cl)CCCC
InChIInChI=1S/C9H17O.C4H9.2ClH.Sn/c1-3-5-6-7-8-9(10)4-2;1-3-4-2;;;/h2-8H2,1H3;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
InChIKeyPKJDPDCTWFTPGU-UHFFFAOYSA-L
MW387.97 g/mol
LogP5.64
Rot. Bonds11

About 1-[butyl(dichloro)stannyl]nonan-3-one

1-[butyl(dichloro)stannyl]nonan-3-one (PubChem CID 10949094) has the molecular formula C13H26Cl2OSn and a molecular weight of 387.97 g/mol. Its IUPAC name is 1-[butyl(dichloro)stannyl]nonan-3-one.

Molecular Properties

Compound Name1-[butyl(dichloro)stannyl]nonan-3-one
PubChem CID10949094
Molecular FormulaC13H26Cl2OSn
Molecular Weight387.97 g/mol
Exact Mass388.04
IUPAC Name1-[butyl(dichloro)stannyl]nonan-3-one
SMILESCCCCCCC(=O)CC[Sn](Cl)(Cl)CCCC
InChIInChI=1S/C9H17O.C4H9.2ClH.Sn/c1-3-5-6-7-8-9(10)4-2;1-3-4-2;;;/h2-8H2,1H3;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
InChIKeyPKJDPDCTWFTPGU-UHFFFAOYSA-L
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.97
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[butyl(dichloro)stannyl]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
icosane-4,15-dione
CID 123287171
dichloro(dioctadecyl)stannane
CID 2753364

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(dichloro)stannyl]nonan-3-one?
The IUPAC name of 1-[butyl(dichloro)stannyl]nonan-3-one (CID 10949094) is 1-[butyl(dichloro)stannyl]nonan-3-one.
What is the SMILES notation for 1-[butyl(dichloro)stannyl]nonan-3-one?
The canonical SMILES for 1-[butyl(dichloro)stannyl]nonan-3-one is CCCCCCC(=O)CC[Sn](Cl)(Cl)CCCC.
What is the InChIKey of 1-[butyl(dichloro)stannyl]nonan-3-one?
The InChIKey is PKJDPDCTWFTPGU-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H17O.C4H9.2ClH.Sn/c1-3-5-6-7-8-9(10)4-2;1-3-4-2;;;/h2-8H2,1H3;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of 1-[butyl(dichloro)stannyl]nonan-3-one?
1-[butyl(dichloro)stannyl]nonan-3-one has a molecular weight of 387.97 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(dichloro)stannyl]nonan-3-one is sourced from PubChem (CID 10949094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).