(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane

C15H24O3Sn — CID 124629679

IUPAC(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane
SMILESCCCC[Sn]1(CCCC)OO[C@@H](c2ccccc2)O1
InChIInChI=1S/C7H7O3.2C4H9.Sn/c8-7(10-9)6-4-2-1-3-5-6;2*1-3-4-2;/h1-5,7,9H;2*1,3-4H2,2H3;/q-1;;;+2/p-1/t7-;;;/m0.../s1
InChIKeyCYWIWJVLQHDEBA-QTPLPEIMSA-M
MW371.07 g/mol
LogP4.71
Rot. Bonds7

About (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane

(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane (PubChem CID 124629679) has the molecular formula C15H24O3Sn and a molecular weight of 371.07 g/mol. Its IUPAC name is (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane.

Molecular Properties

Compound Name(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane
PubChem CID124629679
Molecular FormulaC15H24O3Sn
Molecular Weight371.07 g/mol
Exact Mass372.07
IUPAC Name(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane
SMILESCCCC[Sn]1(CCCC)OO[C@@H](c2ccccc2)O1
InChIInChI=1S/C7H7O3.2C4H9.Sn/c8-7(10-9)6-4-2-1-3-5-6;2*1-3-4-2;/h1-5,7,9H;2*1,3-4H2,2H3;/q-1;;;+2/p-1/t7-;;;/m0.../s1
InChIKeyCYWIWJVLQHDEBA-QTPLPEIMSA-M
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane
CID 71346298
2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane
CID 16695949
butyl(phenyl)iodanium
CID 87304112
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane
CID 71397911
5-phenyltetraoxolane
CID 102034769
5-decoxy-2-phenyl-1,3-dioxane
CID 15077847
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
cyclopropylbenzene;ethylhydrazine
CID 22346635
CID 45050202
CID 45050202
2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide
CID 16683167
(3-butylcyclopent-2-en-1-yl)benzene
CID 13199080

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane?
The IUPAC name of (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane (CID 124629679) is (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane.
What is the SMILES notation for (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane?
The canonical SMILES for (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane is CCCC[Sn]1(CCCC)OO[C@@H](c2ccccc2)O1.
What is the InChIKey of (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane?
The InChIKey is CYWIWJVLQHDEBA-QTPLPEIMSA-M. The full InChI is InChI=1S/C7H7O3.2C4H9.Sn/c8-7(10-9)6-4-2-1-3-5-6;2*1-3-4-2;/h1-5,7,9H;2*1,3-4H2,2H3;/q-1;;;+2/p-1/t7-;;;/m0.../s1.
What are the key properties of (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane?
(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane has a molecular weight of 371.07 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane is sourced from PubChem (CID 124629679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).