butyl-(1-hydroxy-4-oxobutyl)tin

C8H16O2Sn — CID 87179717

IUPACbutyl-(1-hydroxy-4-oxobutyl)tin
SMILESCCCC[Sn]C(O)CCC=O
InChIInChI=1S/C4H7O2.C4H9.Sn/c5-3-1-2-4-6;1-3-4-2;/h3-5H,1-2H2;1,3-4H2,2H3;
InChIKeyAUWGVDOQYNBORK-UHFFFAOYSA-N
MW262.92 g/mol
LogP1.21
Rot. Bonds7

About butyl-(1-hydroxy-4-oxobutyl)tin

butyl-(1-hydroxy-4-oxobutyl)tin (PubChem CID 87179717) has the molecular formula C8H16O2Sn and a molecular weight of 262.92 g/mol. Its IUPAC name is butyl-(1-hydroxy-4-oxobutyl)tin.

Molecular Properties

Compound Namebutyl-(1-hydroxy-4-oxobutyl)tin
PubChem CID87179717
Molecular FormulaC8H16O2Sn
Molecular Weight262.92 g/mol
Exact Mass264.02
IUPAC Namebutyl-(1-hydroxy-4-oxobutyl)tin
SMILESCCCC[Sn]C(O)CCC=O
InChIInChI=1S/C4H7O2.C4H9.Sn/c5-3-1-2-4-6;1-3-4-2;/h3-5H,1-2H2;1,3-4H2,2H3;
InChIKeyAUWGVDOQYNBORK-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.92
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-hydroxyoctadec-9-enal
CID 173341795
6-hydroxydecanal
CID 86178467
4-butyloctanal;titanium
CID 175088006
5-hydroxyoctanal
CID 54248840
4-aminopentadecanal
CID 91108576
(E)-12-hydroxyoctadec-9-enal
CID 87273358
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916
(6E,12E)-octadeca-6,12-dienal
CID 10220937
ethane-1,2-diol;pentanal
CID 87390280
(3S)-3-hydroxyheptanal
CID 15258469
12-hydroxytridecanal
CID 11961599

Frequently Asked Questions

What is the IUPAC name of butyl-(1-hydroxy-4-oxobutyl)tin?
The IUPAC name of butyl-(1-hydroxy-4-oxobutyl)tin (CID 87179717) is butyl-(1-hydroxy-4-oxobutyl)tin.
What is the SMILES notation for butyl-(1-hydroxy-4-oxobutyl)tin?
The canonical SMILES for butyl-(1-hydroxy-4-oxobutyl)tin is CCCC[Sn]C(O)CCC=O.
What is the InChIKey of butyl-(1-hydroxy-4-oxobutyl)tin?
The InChIKey is AUWGVDOQYNBORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2.C4H9.Sn/c5-3-1-2-4-6;1-3-4-2;/h3-5H,1-2H2;1,3-4H2,2H3;.
What are the key properties of butyl-(1-hydroxy-4-oxobutyl)tin?
butyl-(1-hydroxy-4-oxobutyl)tin has a molecular weight of 262.92 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(1-hydroxy-4-oxobutyl)tin is sourced from PubChem (CID 87179717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).