diheptyl(dioctyl)stannane

C30H64Sn — CID 152736724

IUPACdiheptyl(dioctyl)stannane
SMILESCCCCCCCC[Sn](CCCCCCC)(CCCCCCC)CCCCCCCC
InChIInChI=1S/2C8H17.2C7H15.Sn/c2*1-3-5-7-8-6-4-2;2*1-3-5-7-6-4-2;/h2*1,3-8H2,2H3;2*1,3-7H2,2H3;
InChIKeyZYTLJNDMGZBQSF-UHFFFAOYSA-N
MW543.55 g/mol
LogP12.10
Rot. Bonds26

About diheptyl(dioctyl)stannane

diheptyl(dioctyl)stannane (PubChem CID 152736724) has the molecular formula C30H64Sn and a molecular weight of 543.55 g/mol. Its IUPAC name is diheptyl(dioctyl)stannane.

Molecular Properties

Compound Namediheptyl(dioctyl)stannane
PubChem CID152736724
Molecular FormulaC30H64Sn
Molecular Weight543.55 g/mol
Exact Mass544.40
IUPAC Namediheptyl(dioctyl)stannane
SMILESCCCCCCCC[Sn](CCCCCCC)(CCCCCCC)CCCCCCCC
InChIInChI=1S/2C8H17.2C7H15.Sn/c2*1-3-5-7-8-6-4-2;2*1-3-5-7-6-4-2;/h2*1,3-8H2,2H3;2*1,3-7H2,2H3;
InChIKeyZYTLJNDMGZBQSF-UHFFFAOYSA-N
XLogP12.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.55
LogP ≤ 512.10
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
butyl(trioctyl)stannane;hydrochloride
CID 175572560
tetrabutylstannane
CID 160899301
tetrabutylstannane;hydrate
CID 87560971
trimethyl(octadecyl)stannane
CID 154056481
dihexyl(dimethyl)stannane
CID 86221007
methyl(trioctadecyl)stannane
CID 154048335
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of diheptyl(dioctyl)stannane?
The IUPAC name of diheptyl(dioctyl)stannane (CID 152736724) is diheptyl(dioctyl)stannane.
What is the SMILES notation for diheptyl(dioctyl)stannane?
The canonical SMILES for diheptyl(dioctyl)stannane is CCCCCCCC[Sn](CCCCCCC)(CCCCCCC)CCCCCCCC.
What is the InChIKey of diheptyl(dioctyl)stannane?
The InChIKey is ZYTLJNDMGZBQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.2C7H15.Sn/c2*1-3-5-7-8-6-4-2;2*1-3-5-7-6-4-2;/h2*1,3-8H2,2H3;2*1,3-7H2,2H3;.
What are the key properties of diheptyl(dioctyl)stannane?
diheptyl(dioctyl)stannane has a molecular weight of 543.55 g/mol, XLogP of 12.10, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diheptyl(dioctyl)stannane is sourced from PubChem (CID 152736724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).