butoxymethanone;hydroxymethanone;tin(4+)

C12H20O8Sn — CID 173100120

IUPACbutoxymethanone;hydroxymethanone;tin(4+)
SMILESCCCCO[C-]=O.CCCCO[C-]=O.O=[C-]O.O=[C-]O.[Sn+4]
InChIInChI=1S/2C5H9O2.2CHO2.Sn/c2*1-2-3-4-7-5-6;2*2-1-3;/h2*2-4H2,1H3;2*(H,2,3);/q4*-1;+4
InChIKeyZZQSWCORWFOHEO-UHFFFAOYSA-N
MW411.00 g/mol
LogP0.58
Rot. Bonds8

About butoxymethanone;hydroxymethanone;tin(4+)

butoxymethanone;hydroxymethanone;tin(4+) (PubChem CID 173100120) has the molecular formula C12H20O8Sn and a molecular weight of 411.00 g/mol. Its IUPAC name is butoxymethanone;hydroxymethanone;tin(4+).

Molecular Properties

Compound Namebutoxymethanone;hydroxymethanone;tin(4+)
PubChem CID173100120
Molecular FormulaC12H20O8Sn
Molecular Weight411.00 g/mol
Exact Mass412.02
IUPAC Namebutoxymethanone;hydroxymethanone;tin(4+)
SMILESCCCCO[C-]=O.CCCCO[C-]=O.O=[C-]O.O=[C-]O.[Sn+4]
InChIInChI=1S/2C5H9O2.2CHO2.Sn/c2*1-2-3-4-7-5-6;2*2-1-3;/h2*2-4H2,1H3;2*(H,2,3);/q4*-1;+4
InChIKeyZZQSWCORWFOHEO-UHFFFAOYSA-N
XLogP0.58
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.00
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxymethanone;hydroxymethanone;tin(4+)?
The IUPAC name of butoxymethanone;hydroxymethanone;tin(4+) (CID 173100120) is butoxymethanone;hydroxymethanone;tin(4+).
What is the SMILES notation for butoxymethanone;hydroxymethanone;tin(4+)?
The canonical SMILES for butoxymethanone;hydroxymethanone;tin(4+) is CCCCO[C-]=O.CCCCO[C-]=O.O=[C-]O.O=[C-]O.[Sn+4].
What is the InChIKey of butoxymethanone;hydroxymethanone;tin(4+)?
The InChIKey is ZZQSWCORWFOHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9O2.2CHO2.Sn/c2*1-2-3-4-7-5-6;2*2-1-3;/h2*2-4H2,1H3;2*(H,2,3);/q4*-1;+4.
What are the key properties of butoxymethanone;hydroxymethanone;tin(4+)?
butoxymethanone;hydroxymethanone;tin(4+) has a molecular weight of 411.00 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethanone;hydroxymethanone;tin(4+) is sourced from PubChem (CID 173100120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).