butyl(3-hydroxypropyl)tin

C7H16OSn — CID 177489361

IUPACbutyl(3-hydroxypropyl)tin
SMILESCCCC[Sn]CCCO
InChIInChI=1S/C4H9.C3H7O.Sn/c1-3-4-2;1-2-3-4;/h1,3-4H2,2H3;4H,1-3H2;
InChIKeyVUKBVKNABWMLHB-UHFFFAOYSA-N
MW234.91 g/mol
LogP1.71
Rot. Bonds6

About butyl(3-hydroxypropyl)tin

butyl(3-hydroxypropyl)tin (PubChem CID 177489361) has the molecular formula C7H16OSn and a molecular weight of 234.91 g/mol. Its IUPAC name is butyl(3-hydroxypropyl)tin.

Molecular Properties

Compound Namebutyl(3-hydroxypropyl)tin
PubChem CID177489361
Molecular FormulaC7H16OSn
Molecular Weight234.91 g/mol
Exact Mass236.02
IUPAC Namebutyl(3-hydroxypropyl)tin
SMILESCCCC[Sn]CCCO
InChIInChI=1S/C4H9.C3H7O.Sn/c1-3-4-2;1-2-3-4;/h1,3-4H2,2H3;4H,1-3H2;
InChIKeyVUKBVKNABWMLHB-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.91
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibutyltin
CID 6484
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;methane
CID 158142869
dibutyltin;tris(ethane-1,1,1,2,2,2-hexol)
CID 173133836
dibutyltin;2-hydroxyacetic acid
CID 87134972
butane-1,4-diol;dibutyltin;dodecanoic acid
CID 174920142
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
chloro hypochlorite;dibutyltin
CID 87460481
acetic acid;bis(dibutyltin);hydrate
CID 173025029
butane;butan-1-ol
CID 19774960
butan-1-ol;plumbane
CID 173408910

Frequently Asked Questions

What is the IUPAC name of butyl(3-hydroxypropyl)tin?
The IUPAC name of butyl(3-hydroxypropyl)tin (CID 177489361) is butyl(3-hydroxypropyl)tin.
What is the SMILES notation for butyl(3-hydroxypropyl)tin?
The canonical SMILES for butyl(3-hydroxypropyl)tin is CCCC[Sn]CCCO.
What is the InChIKey of butyl(3-hydroxypropyl)tin?
The InChIKey is VUKBVKNABWMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C3H7O.Sn/c1-3-4-2;1-2-3-4;/h1,3-4H2,2H3;4H,1-3H2;.
What are the key properties of butyl(3-hydroxypropyl)tin?
butyl(3-hydroxypropyl)tin has a molecular weight of 234.91 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(3-hydroxypropyl)tin is sourced from PubChem (CID 177489361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).