dipropyltin;dodecanoic acid

C18H38O2Sn — CID 157111444

IUPACdipropyltin;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.CCC[Sn]CCC
InChIInChI=1S/C12H24O2.2C3H7.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-2;/h2-11H2,1H3,(H,13,14);2*1,3H2,2H3;
InChIKeyAGWZLPWXUWHKEG-UHFFFAOYSA-N
MW405.21 g/mol
LogP6.34
Rot. Bonds14

About dipropyltin;dodecanoic acid

dipropyltin;dodecanoic acid (PubChem CID 157111444) has the molecular formula C18H38O2Sn and a molecular weight of 405.21 g/mol. Its IUPAC name is dipropyltin;dodecanoic acid.

Molecular Properties

Compound Namedipropyltin;dodecanoic acid
PubChem CID157111444
Molecular FormulaC18H38O2Sn
Molecular Weight405.21 g/mol
Exact Mass406.19
IUPAC Namedipropyltin;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.CCC[Sn]CCC
InChIInChI=1S/C12H24O2.2C3H7.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-2;/h2-11H2,1H3,(H,13,14);2*1,3H2,2H3;
InChIKeyAGWZLPWXUWHKEG-UHFFFAOYSA-N
XLogP6.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.21
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dipropyltin;dodecanoic acid 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

dibutyltin;tetrakis(dodecanoic acid)
CID 173333361
tris(decanoic acid);methyl-λ2-stannane
CID 173077159
docosanoic acid;tetradecane
CID 157248197
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of dipropyltin;dodecanoic acid?
The IUPAC name of dipropyltin;dodecanoic acid (CID 157111444) is dipropyltin;dodecanoic acid.
What is the SMILES notation for dipropyltin;dodecanoic acid?
The canonical SMILES for dipropyltin;dodecanoic acid is CCCCCCCCCCCC(=O)O.CCC[Sn]CCC.
What is the InChIKey of dipropyltin;dodecanoic acid?
The InChIKey is AGWZLPWXUWHKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.2C3H7.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-2;/h2-11H2,1H3,(H,13,14);2*1,3H2,2H3;.
What are the key properties of dipropyltin;dodecanoic acid?
dipropyltin;dodecanoic acid has a molecular weight of 405.21 g/mol, XLogP of 6.34, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyltin;dodecanoic acid is sourced from PubChem (CID 157111444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).