chloro(triheptyl)stannane

C21H45ClSn — CID 154146685

IUPACchloro(triheptyl)stannane
SMILESCCCCCCC[Sn](Cl)(CCCCCCC)CCCCCCC
InChIInChI=1S/3C7H15.ClH.Sn/c3*1-3-5-7-6-4-2;;/h3*1,3-7H2,2H3;1H;/q;;;;+1/p-1
InChIKeyOHTASOQFYWVHFQ-UHFFFAOYSA-M
MW451.76 g/mol
LogP9.08
Rot. Bonds18

About chloro(triheptyl)stannane

chloro(triheptyl)stannane (PubChem CID 154146685) has the molecular formula C21H45ClSn and a molecular weight of 451.76 g/mol. Its IUPAC name is chloro(triheptyl)stannane.

Molecular Properties

Compound Namechloro(triheptyl)stannane
PubChem CID154146685
Molecular FormulaC21H45ClSn
Molecular Weight451.76 g/mol
Exact Mass452.22
IUPAC Namechloro(triheptyl)stannane
SMILESCCCCCCC[Sn](Cl)(CCCCCCC)CCCCCCC
InChIInChI=1S/3C7H15.ClH.Sn/c3*1-3-5-7-6-4-2;;/h3*1,3-7H2,2H3;1H;/q;;;;+1/p-1
InChIKeyOHTASOQFYWVHFQ-UHFFFAOYSA-M
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.76
LogP ≤ 59.08
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

dichloro(dioctadecyl)stannane
CID 2753364
diheptyl(dioctyl)stannane
CID 152736724
dichloro-ethyl-pentylstannane
CID 88509142
dihexyl(dimethyl)stannane
CID 86221007
trimethyl(octadecyl)stannane
CID 154056481
tributyl(hexadecyl)stannane
CID 174658060
methyl(trioctadecyl)stannane
CID 154048335
tributyl(chloro)stannane;tributylstannanylium;chloride
CID 89264041
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of chloro(triheptyl)stannane?
The IUPAC name of chloro(triheptyl)stannane (CID 154146685) is chloro(triheptyl)stannane.
What is the SMILES notation for chloro(triheptyl)stannane?
The canonical SMILES for chloro(triheptyl)stannane is CCCCCCC[Sn](Cl)(CCCCCCC)CCCCCCC.
What is the InChIKey of chloro(triheptyl)stannane?
The InChIKey is OHTASOQFYWVHFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/3C7H15.ClH.Sn/c3*1-3-5-7-6-4-2;;/h3*1,3-7H2,2H3;1H;/q;;;;+1/p-1.
What are the key properties of chloro(triheptyl)stannane?
chloro(triheptyl)stannane has a molecular weight of 451.76 g/mol, XLogP of 9.08, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(triheptyl)stannane is sourced from PubChem (CID 154146685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).