11-[butyl(dimethyl)stannyl]undecanoic acid

C17H36O2Sn — CID 71370652

IUPAC11-[butyl(dimethyl)stannyl]undecanoic acid
SMILESCCCC[Sn](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C11H21O2.C4H9.2CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-4-2;;;/h1-10H2,(H,12,13);1,3-4H2,2H3;2*1H3;
InChIKeyDSXBQUGHMIVXAP-UHFFFAOYSA-N
MW391.18 g/mol
LogP6.09
Rot. Bonds14

About 11-[butyl(dimethyl)stannyl]undecanoic acid

11-[butyl(dimethyl)stannyl]undecanoic acid (PubChem CID 71370652) has the molecular formula C17H36O2Sn and a molecular weight of 391.18 g/mol. Its IUPAC name is 11-[butyl(dimethyl)stannyl]undecanoic acid.

Molecular Properties

Compound Name11-[butyl(dimethyl)stannyl]undecanoic acid
PubChem CID71370652
Molecular FormulaC17H36O2Sn
Molecular Weight391.18 g/mol
Exact Mass392.17
IUPAC Name11-[butyl(dimethyl)stannyl]undecanoic acid
SMILESCCCC[Sn](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C11H21O2.C4H9.2CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-4-2;;;/h1-10H2,(H,12,13);1,3-4H2,2H3;2*1H3;
InChIKeyDSXBQUGHMIVXAP-UHFFFAOYSA-N
XLogP6.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.18
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecanoic acid;titanium
CID 87082041
octadecanoic acid;titanium;trihydrate
CID 153488689
methanol;tris(octanoic acid);titanium
CID 160869796
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
dodecanoic acid
CID 158187269
henicosane;tetracontanoic acid
CID 175935348
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

Frequently Asked Questions

What is the IUPAC name of 11-[butyl(dimethyl)stannyl]undecanoic acid?
The IUPAC name of 11-[butyl(dimethyl)stannyl]undecanoic acid (CID 71370652) is 11-[butyl(dimethyl)stannyl]undecanoic acid.
What is the SMILES notation for 11-[butyl(dimethyl)stannyl]undecanoic acid?
The canonical SMILES for 11-[butyl(dimethyl)stannyl]undecanoic acid is CCCC[Sn](C)(C)CCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[butyl(dimethyl)stannyl]undecanoic acid?
The InChIKey is DSXBQUGHMIVXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2.C4H9.2CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-4-2;;;/h1-10H2,(H,12,13);1,3-4H2,2H3;2*1H3;.
What are the key properties of 11-[butyl(dimethyl)stannyl]undecanoic acid?
11-[butyl(dimethyl)stannyl]undecanoic acid has a molecular weight of 391.18 g/mol, XLogP of 6.09, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[butyl(dimethyl)stannyl]undecanoic acid is sourced from PubChem (CID 71370652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).