CID 15855332

C10H16O4Sn — CID 15855332

IUPAC—
SMILESCC(=O)CC(C)=O.CC(=O)CC(C)=O.[Sn]
InChIInChI=1S/2C5H8O2.Sn/c2*1-4(6)3-5(2)7;/h2*3H2,1-2H3;
InChIKeyFZMKZAQBIAZQNW-UHFFFAOYSA-N
MW318.95 g/mol
LogP0.73
Rot. Bonds4

About CID 15855332

CID 15855332 (PubChem CID 15855332) has the molecular formula C10H16O4Sn and a molecular weight of 318.95 g/mol.

Molecular Properties

Compound NameCID 15855332
PubChem CID15855332
Molecular FormulaC10H16O4Sn
Molecular Weight318.95 g/mol
Exact Mass320.01
IUPAC Name—
SMILESCC(=O)CC(C)=O.CC(=O)CC(C)=O.[Sn]
InChIInChI=1S/2C5H8O2.Sn/c2*1-4(6)3-5(2)7;/h2*3H2,1-2H3;
InChIKeyFZMKZAQBIAZQNW-UHFFFAOYSA-N
XLogP0.73
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.95
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Lithium pentane-2,4-dione
CID 86735745
CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
potassium pentane-2,4-dione
CID 19762724
barium(2+);pentane-2,4-dione
CID 23298949
silver pentane-2,4-dione
CID 21252539
nickel;pentane-2,4-dione
CID 158705791
CID 87579488
CID 87579488
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371
cerium;pentane-2,4-dione;hydrate
CID 86734909

Frequently Asked Questions

What is the IUPAC name of CID 15855332?
The IUPAC name of CID 15855332 (CID 15855332) is not available.
What is the SMILES notation for CID 15855332?
The canonical SMILES for CID 15855332 is CC(=O)CC(C)=O.CC(=O)CC(C)=O.[Sn].
What is the InChIKey of CID 15855332?
The InChIKey is FZMKZAQBIAZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O2.Sn/c2*1-4(6)3-5(2)7;/h2*3H2,1-2H3;.
What are the key properties of CID 15855332?
CID 15855332 has a molecular weight of 318.95 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15855332 is sourced from PubChem (CID 15855332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).