calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione

C15H32CaN2O3Sn — CID 175609484

IUPACcalcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1C(=O)N(C)C(=O)N(C)C1=O.CCCC[SnH2]CCCC.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H10N2O3.2C4H9.Ca.Sn.4H/c1-4-5(10)8(2)7(12)9(3)6(4)11;2*1-3-4-2;;;;;;/h4H,1-3H3;2*1,3-4H2,2H3;;;;;;/q;;;+2;;;;2*-1
InChIKeyTXCYUEMTAROJPO-UHFFFAOYSA-N
MW447.22 g/mol
LogP2.11
Rot. Bonds6

About calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione

calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 175609484) has the molecular formula C15H32CaN2O3Sn and a molecular weight of 447.22 g/mol. Its IUPAC name is calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Namecalcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
PubChem CID175609484
Molecular FormulaC15H32CaN2O3Sn
Molecular Weight447.22 g/mol
Exact Mass448.11
IUPAC Namecalcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1C(=O)N(C)C(=O)N(C)C1=O.CCCC[SnH2]CCCC.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H10N2O3.2C4H9.Ca.Sn.4H/c1-4-5(10)8(2)7(12)9(3)6(4)11;2*1-3-4-2;;;;;;/h4H,1-3H3;2*1,3-4H2,2H3;;;;;;/q;;;+2;;;;2*-1
InChIKeyTXCYUEMTAROJPO-UHFFFAOYSA-N
XLogP2.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 173035286
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione
CID 87802390
2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane
CID 159666639
1-benzyl-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 86189185
1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
CID 74684234
5,7-dibutyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118596999
3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
CID 144937454
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 23875
5-[(4-butoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2294288
5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 13319083

Frequently Asked Questions

What is the IUPAC name of calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione (CID 175609484) is calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione is CC1C(=O)N(C)C(=O)N(C)C1=O.CCCC[SnH2]CCCC.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is TXCYUEMTAROJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.2C4H9.Ca.Sn.4H/c1-4-5(10)8(2)7(12)9(3)6(4)11;2*1-3-4-2;;;;;;/h4H,1-3H3;2*1,3-4H2,2H3;;;;;;/q;;;+2;;;;2*-1.
What are the key properties of calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione?
calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 447.22 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 175609484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).