hexoxy(1,3-oxazol-4-yl)tin

C9H15NO2Sn — CID 174400449

IUPAChexoxy(1,3-oxazol-4-yl)tin
SMILESCCCCCCO[Sn]c1cocn1
InChIInChI=1S/C6H13O.C3H2NO.Sn/c1-2-3-4-5-6-7;1-2-5-3-4-1;/h2-6H2,1H3;2-3H;/q-1;;+1
InChIKeyDOFICRJQVOXCMM-UHFFFAOYSA-N
MW287.93 g/mol
LogP1.52
Rot. Bonds7

About hexoxy(1,3-oxazol-4-yl)tin

hexoxy(1,3-oxazol-4-yl)tin (PubChem CID 174400449) has the molecular formula C9H15NO2Sn and a molecular weight of 287.93 g/mol. Its IUPAC name is hexoxy(1,3-oxazol-4-yl)tin.

Molecular Properties

Compound Namehexoxy(1,3-oxazol-4-yl)tin
PubChem CID174400449
Molecular FormulaC9H15NO2Sn
Molecular Weight287.93 g/mol
Exact Mass289.01
IUPAC Namehexoxy(1,3-oxazol-4-yl)tin
SMILESCCCCCCO[Sn]c1cocn1
InChIInChI=1S/C6H13O.C3H2NO.Sn/c1-2-3-4-5-6-7;1-2-5-3-4-1;/h2-6H2,1H3;2-3H;/q-1;;+1
InChIKeyDOFICRJQVOXCMM-UHFFFAOYSA-N
XLogP1.52
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.93
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexoxy(1,3-oxazol-4-yl)tin?
The IUPAC name of hexoxy(1,3-oxazol-4-yl)tin (CID 174400449) is hexoxy(1,3-oxazol-4-yl)tin.
What is the SMILES notation for hexoxy(1,3-oxazol-4-yl)tin?
The canonical SMILES for hexoxy(1,3-oxazol-4-yl)tin is CCCCCCO[Sn]c1cocn1.
What is the InChIKey of hexoxy(1,3-oxazol-4-yl)tin?
The InChIKey is DOFICRJQVOXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.C3H2NO.Sn/c1-2-3-4-5-6-7;1-2-5-3-4-1;/h2-6H2,1H3;2-3H;/q-1;;+1.
What are the key properties of hexoxy(1,3-oxazol-4-yl)tin?
hexoxy(1,3-oxazol-4-yl)tin has a molecular weight of 287.93 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy(1,3-oxazol-4-yl)tin is sourced from PubChem (CID 174400449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).