2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine

C12H24O2Sn — CID 16703205

IUPAC2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
SMILESCCCC[Sn]1(CCCC)OCC=CCO1
InChIInChI=1S/C4H6O2.2C4H9.Sn/c5-3-1-2-4-6;2*1-3-4-2;/h1-2H,3-4H2;2*1,3-4H2,2H3;/q-2;;;+2/b2-1-;;;
InChIKeyZSVJBUOIJROVFT-GRHBHMESSA-N
MW319.03 g/mol
LogP3.63
Rot. Bonds6

About 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine

2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine (PubChem CID 16703205) has the molecular formula C12H24O2Sn and a molecular weight of 319.03 g/mol. Its IUPAC name is 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine.

Molecular Properties

Compound Name2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
PubChem CID16703205
Molecular FormulaC12H24O2Sn
Molecular Weight319.03 g/mol
Exact Mass320.08
IUPAC Name2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
SMILESCCCC[Sn]1(CCCC)OCC=CCO1
InChIInChI=1S/C4H6O2.2C4H9.Sn/c5-3-1-2-4-6;2*1-3-4-2;/h1-2H,3-4H2;2*1,3-4H2,2H3;/q-2;;;+2/b2-1-;;;
InChIKeyZSVJBUOIJROVFT-GRHBHMESSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.03
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
CID 71360609
2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane
CID 66811542
3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane
CID 16688813
3,3-dibutyl-5-ethyl-5-methyl-1,2,4,3-trioxastannolane
CID 16683329
(4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane
CID 16687705
(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane
CID 124629679
2,2-dibutyl-7-sulfanylidene-1,3,6,8,2-dioxadithiastannecane-4,10-dione
CID 18503074
1,1-dibutyl-4H-stannin-4-ol
CID 71441295
3,3-dibutyl-6,7,8,9-tetrafluoro-2,4,3-benzodioxastannepine-1,5-dione
CID 16707069
Dibutylsilane
CID 6330319
octane;oxotin;hydrochloride
CID 173066555
2,2-dibutyl-1,3-dimethyl-1,3,2-diazastannetidine
CID 166567608

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine?
The IUPAC name of 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine (CID 16703205) is 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine.
What is the SMILES notation for 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine?
The canonical SMILES for 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine is CCCC[Sn]1(CCCC)OCC=CCO1.
What is the InChIKey of 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine?
The InChIKey is ZSVJBUOIJROVFT-GRHBHMESSA-N. The full InChI is InChI=1S/C4H6O2.2C4H9.Sn/c5-3-1-2-4-6;2*1-3-4-2;/h1-2H,3-4H2;2*1,3-4H2,2H3;/q-2;;;+2/b2-1-;;;.
What are the key properties of 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine?
2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine has a molecular weight of 319.03 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine is sourced from PubChem (CID 16703205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).