methanolate;trioctylstannanylium

C25H54OSn — CID 23295104

IUPACmethanolate;trioctylstannanylium
SMILESCCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.C[O-]
InChIInChI=1S/3C8H17.CH3O.Sn/c3*1-3-5-7-8-6-4-2;1-2;/h3*1,3-8H2,2H3;1H3;/q;;;-1;+1
InChIKeyITYWAQTXWQOHHD-UHFFFAOYSA-N
MW489.42 g/mol
LogP8.54
Rot. Bonds21

About methanolate;trioctylstannanylium

methanolate;trioctylstannanylium (PubChem CID 23295104) has the molecular formula C25H54OSn and a molecular weight of 489.42 g/mol. Its IUPAC name is methanolate;trioctylstannanylium.

Molecular Properties

Compound Namemethanolate;trioctylstannanylium
PubChem CID23295104
Molecular FormulaC25H54OSn
Molecular Weight489.42 g/mol
Exact Mass490.32
IUPAC Namemethanolate;trioctylstannanylium
SMILESCCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.C[O-]
InChIInChI=1S/3C8H17.CH3O.Sn/c3*1-3-5-7-8-6-4-2;1-2;/h3*1,3-8H2,2H3;1H3;/q;;;-1;+1
InChIKeyITYWAQTXWQOHHD-UHFFFAOYSA-N
XLogP8.54
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.42
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tri(tetradecyl)stannanylium chloride
CID 88819643
dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(octyl)stannanylium
CID 87200791
dibutyl(octyl)stannanylium chloride
CID 88642054
octadecanoate;trioctylstannanylium
CID 23208965
6-methylheptyl(dioctyl)stannanylium
CID 160589874
azane;tributylstannanylium
CID 172708853
sulfanide;tributylstannanylium
CID 13070078
copper(1+);bis(tributylstannanylium)
CID 19840058
N,N-dimethylcarbamodithioate;trioctylstannanylium
CID 20561757
dihexyl(methyl)stannanylium
CID 21161779
dibutyl(propyl)stannanylium chloride
CID 23200296

Frequently Asked Questions

What is the IUPAC name of methanolate;trioctylstannanylium?
The IUPAC name of methanolate;trioctylstannanylium (CID 23295104) is methanolate;trioctylstannanylium.
What is the SMILES notation for methanolate;trioctylstannanylium?
The canonical SMILES for methanolate;trioctylstannanylium is CCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.C[O-].
What is the InChIKey of methanolate;trioctylstannanylium?
The InChIKey is ITYWAQTXWQOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.CH3O.Sn/c3*1-3-5-7-8-6-4-2;1-2;/h3*1,3-8H2,2H3;1H3;/q;;;-1;+1.
What are the key properties of methanolate;trioctylstannanylium?
methanolate;trioctylstannanylium has a molecular weight of 489.42 g/mol, XLogP of 8.54, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;trioctylstannanylium is sourced from PubChem (CID 23295104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).