1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol

C8H19Cl2NO2Sn — CID 87308484

IUPAC1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol
SMILESCCCC[Sn](Cl)(Cl)N(C(C)O)C(C)O
InChIInChI=1S/C4H10NO2.C4H9.2ClH.Sn/c1-3(6)5-4(2)7;1-3-4-2;;;/h3-4,6-7H,1-2H3;1,3-4H2,2H3;2*1H;/q-1;;;;+3/p-2
InChIKeySYVZLHQLQWVYPF-UHFFFAOYSA-L
MW350.86 g/mol
LogP2.18
Rot. Bonds6

About 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol

1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol (PubChem CID 87308484) has the molecular formula C8H19Cl2NO2Sn and a molecular weight of 350.86 g/mol. Its IUPAC name is 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol
PubChem CID87308484
Molecular FormulaC8H19Cl2NO2Sn
Molecular Weight350.86 g/mol
Exact Mass350.98
IUPAC Name1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol
SMILESCCCC[Sn](Cl)(Cl)N(C(C)O)C(C)O
InChIInChI=1S/C4H10NO2.C4H9.2ClH.Sn/c1-3(6)5-4(2)7;1-3-4-2;;;/h3-4,6-7H,1-2H3;1,3-4H2,2H3;2*1H;/q-1;;;;+3/p-2
InChIKeySYVZLHQLQWVYPF-UHFFFAOYSA-L
XLogP2.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-methyl-1-tributylstannylpropan-1-ol
CID 71355540
(2R,3S)-3-tributylstannyloctan-2-ol
CID 177407142
dibutyl(dichloro)stannane;dihydrochloride
CID 174960716
(3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol
CID 135046193
octane;propan-2-ol
CID 160746796
CID 87308187
CID 87308187
magnesium;butyl(trichloro)stannane;hydride
CID 174801683
1-[butyl(dichloro)stannyl]-4-methylpentan-3-one
CID 15724292
1-[butyl(methyl)amino]butane-2,3-diol
CID 123630501
butan-2-ol;pentane
CID 87560104
N,N-diethylethanamine;hexane;propan-2-ol
CID 18422956
1-chloro-1-[(1-chloro-2-hydroxypropyl)-octadecylamino]propan-2-ol
CID 141483918

Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol (CID 87308484) is 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol is CCCC[Sn](Cl)(Cl)N(C(C)O)C(C)O.
What is the InChIKey of 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol?
The InChIKey is SYVZLHQLQWVYPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10NO2.C4H9.2ClH.Sn/c1-3(6)5-4(2)7;1-3-4-2;;;/h3-4,6-7H,1-2H3;1,3-4H2,2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol?
1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol has a molecular weight of 350.86 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(dichloro)stannyl]-(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 87308484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).