butyl(trioctyl)stannane;hydrochloride

C28H61ClSn — CID 175572560

IUPACbutyl(trioctyl)stannane;hydrochloride
SMILESCCCCCCCC[Sn](CCCC)(CCCCCCCC)CCCCCCCC.Cl
InChIInChI=1S/3C8H17.C4H9.ClH.Sn/c3*1-3-5-7-8-6-4-2;1-3-4-2;;/h3*1,3-8H2,2H3;1,3-4H2,2H3;1H;
InChIKeyVRZNHATVVLZCPS-UHFFFAOYSA-N
MW551.96 g/mol
LogP11.74
Rot. Bonds24

About butyl(trioctyl)stannane;hydrochloride

butyl(trioctyl)stannane;hydrochloride (PubChem CID 175572560) has the molecular formula C28H61ClSn and a molecular weight of 551.96 g/mol. Its IUPAC name is butyl(trioctyl)stannane;hydrochloride.

Molecular Properties

Compound Namebutyl(trioctyl)stannane;hydrochloride
PubChem CID175572560
Molecular FormulaC28H61ClSn
Molecular Weight551.96 g/mol
Exact Mass552.35
IUPAC Namebutyl(trioctyl)stannane;hydrochloride
SMILESCCCCCCCC[Sn](CCCC)(CCCCCCCC)CCCCCCCC.Cl
InChIInChI=1S/3C8H17.C4H9.ClH.Sn/c3*1-3-5-7-8-6-4-2;1-3-4-2;;/h3*1,3-8H2,2H3;1,3-4H2,2H3;1H;
InChIKeyVRZNHATVVLZCPS-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.96
LogP ≤ 511.74
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

tributyl(hexadecyl)stannane
CID 174658060
diheptyl(dioctyl)stannane
CID 152736724
tetrabutylstannane
CID 160899301
tetrabutylstannane;hydrate
CID 87560971
pentacosane;hydrochloride
CID 172714496
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
CID 172821128
3-tributylstannylpropane-1-thiol
CID 21115527
dodecane;phosphane;dihydrochloride
CID 173449681
methane;octane;dihydrochloride
CID 174397937
azane;tritriacontane;hydrochloride
CID 174841743

Frequently Asked Questions

What is the IUPAC name of butyl(trioctyl)stannane;hydrochloride?
The IUPAC name of butyl(trioctyl)stannane;hydrochloride (CID 175572560) is butyl(trioctyl)stannane;hydrochloride.
What is the SMILES notation for butyl(trioctyl)stannane;hydrochloride?
The canonical SMILES for butyl(trioctyl)stannane;hydrochloride is CCCCCCCC[Sn](CCCC)(CCCCCCCC)CCCCCCCC.Cl.
What is the InChIKey of butyl(trioctyl)stannane;hydrochloride?
The InChIKey is VRZNHATVVLZCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.C4H9.ClH.Sn/c3*1-3-5-7-8-6-4-2;1-3-4-2;;/h3*1,3-8H2,2H3;1,3-4H2,2H3;1H;.
What are the key properties of butyl(trioctyl)stannane;hydrochloride?
butyl(trioctyl)stannane;hydrochloride has a molecular weight of 551.96 g/mol, XLogP of 11.74, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trioctyl)stannane;hydrochloride is sourced from PubChem (CID 175572560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).