1,1-dibutyl-4H-stannin-4-ol

C13H24OSn — CID 71441295

IUPAC1,1-dibutyl-4H-stannin-4-ol
SMILESCCCC[Sn]1(CCCC)C=CC(O)C=C1
InChIInChI=1S/C5H6O.2C4H9.Sn/c1-3-5(6)4-2;2*1-3-4-2;/h1-6H;2*1,3-4H2,2H3;
InChIKeyHCJZLOPNZNRDGT-UHFFFAOYSA-N
MW315.05 g/mol
LogP3.60
Rot. Bonds6

About 1,1-dibutyl-4H-stannin-4-ol

1,1-dibutyl-4H-stannin-4-ol (PubChem CID 71441295) has the molecular formula C13H24OSn and a molecular weight of 315.05 g/mol. Its IUPAC name is 1,1-dibutyl-4H-stannin-4-ol.

Molecular Properties

Compound Name1,1-dibutyl-4H-stannin-4-ol
PubChem CID71441295
Molecular FormulaC13H24OSn
Molecular Weight315.05 g/mol
Exact Mass316.08
IUPAC Name1,1-dibutyl-4H-stannin-4-ol
SMILESCCCC[Sn]1(CCCC)C=CC(O)C=C1
InChIInChI=1S/C5H6O.2C4H9.Sn/c1-3-5(6)4-2;2*1-3-4-2;/h1-6H;2*1,3-4H2,2H3;
InChIKeyHCJZLOPNZNRDGT-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.05
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-4H-stannin-4-ol?
The IUPAC name of 1,1-dibutyl-4H-stannin-4-ol (CID 71441295) is 1,1-dibutyl-4H-stannin-4-ol.
What is the SMILES notation for 1,1-dibutyl-4H-stannin-4-ol?
The canonical SMILES for 1,1-dibutyl-4H-stannin-4-ol is CCCC[Sn]1(CCCC)C=CC(O)C=C1.
What is the InChIKey of 1,1-dibutyl-4H-stannin-4-ol?
The InChIKey is HCJZLOPNZNRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.2C4H9.Sn/c1-3-5(6)4-2;2*1-3-4-2;/h1-6H;2*1,3-4H2,2H3;.
What are the key properties of 1,1-dibutyl-4H-stannin-4-ol?
1,1-dibutyl-4H-stannin-4-ol has a molecular weight of 315.05 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-4H-stannin-4-ol is sourced from PubChem (CID 71441295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).