tri(tetradecyl)stannanylium chloride

C42H87ClSn — CID 88819643

IUPACtri(tetradecyl)stannanylium chloride
SMILESCCCCCCCCCCCCCC[Sn+](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/3C14H29.ClH.Sn/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;;/h3*1,3-14H2,2H3;1H;/q;;;;+1/p-1
InChIKeyVSSKUFKDUBVNOB-UHFFFAOYSA-M
MW746.32 g/mol
LogP13.59
Rot. Bonds39

About tri(tetradecyl)stannanylium chloride

tri(tetradecyl)stannanylium chloride (PubChem CID 88819643) has the molecular formula C42H87ClSn and a molecular weight of 746.32 g/mol. Its IUPAC name is tri(tetradecyl)stannanylium chloride.

Molecular Properties

Compound Nametri(tetradecyl)stannanylium chloride
PubChem CID88819643
Molecular FormulaC42H87ClSn
Molecular Weight746.32 g/mol
Exact Mass746.55
IUPAC Nametri(tetradecyl)stannanylium chloride
SMILESCCCCCCCCCCCCCC[Sn+](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/3C14H29.ClH.Sn/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;;/h3*1,3-14H2,2H3;1H;/q;;;;+1/p-1
InChIKeyVSSKUFKDUBVNOB-UHFFFAOYSA-M
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.32
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutyl(octyl)stannanylium chloride
CID 88642054
dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(octyl)stannanylium
CID 87200791
methanolate;trioctylstannanylium
CID 23295104
dibutyl(propyl)stannanylium chloride
CID 23200296
6-methylheptyl(dioctyl)stannanylium
CID 160589874
azane;tributylstannanylium
CID 172708853
copper(1+);bis(tributylstannanylium)
CID 19840058
sulfanide;tributylstannanylium
CID 13070078
undecane chloride
CID 19736895
octadecanoate;trioctylstannanylium
CID 23208965
N,N-dimethylcarbamodithioate;trioctylstannanylium
CID 20561757

Frequently Asked Questions

What is the IUPAC name of tri(tetradecyl)stannanylium chloride?
The IUPAC name of tri(tetradecyl)stannanylium chloride (CID 88819643) is tri(tetradecyl)stannanylium chloride.
What is the SMILES notation for tri(tetradecyl)stannanylium chloride?
The canonical SMILES for tri(tetradecyl)stannanylium chloride is CCCCCCCCCCCCCC[Sn+](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.[Cl-].
What is the InChIKey of tri(tetradecyl)stannanylium chloride?
The InChIKey is VSSKUFKDUBVNOB-UHFFFAOYSA-M. The full InChI is InChI=1S/3C14H29.ClH.Sn/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;;/h3*1,3-14H2,2H3;1H;/q;;;;+1/p-1.
What are the key properties of tri(tetradecyl)stannanylium chloride?
tri(tetradecyl)stannanylium chloride has a molecular weight of 746.32 g/mol, XLogP of 13.59, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(tetradecyl)stannanylium chloride is sourced from PubChem (CID 88819643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).