2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane

C22H30O2Sn — CID 71346298

IUPAC2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane
SMILESCCCC[Sn]1(CCCC)OC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C14H12O2.2C4H9.Sn/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;2*1-3-4-2;/h1-10,13-14H;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyXFKDOJLLZIITQF-UHFFFAOYSA-N
MW445.19 g/mol
LogP6.56
Rot. Bonds8

About 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane

2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane (PubChem CID 71346298) has the molecular formula C22H30O2Sn and a molecular weight of 445.19 g/mol. Its IUPAC name is 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane.

Molecular Properties

Compound Name2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane
PubChem CID71346298
Molecular FormulaC22H30O2Sn
Molecular Weight445.19 g/mol
Exact Mass446.13
IUPAC Name2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane
SMILESCCCC[Sn]1(CCCC)OC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C14H12O2.2C4H9.Sn/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;2*1-3-4-2;/h1-10,13-14H;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyXFKDOJLLZIITQF-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.19
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-3,3-dibutyl-5-phenyl-1,2,4,3-trioxastannolane
CID 124629679
2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane
CID 16695949
butyl(phenyl)iodanium
CID 87304112
benzyl (3aR,6aR)-2,2-dibutyl-3a,4,6,6a-tetrahydro-[1,3,2]dioxastannolo[4,5-c]pyrrole-5-carboxylate
CID 16686443
2,2-dibutyl-4-phenyl-1,3,2-dithiastannolane
CID 71397911
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
(2,2-dichloro-3-hexylcyclopropyl)benzene
CID 524146
1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
hexylphosphane;phenol
CID 174816842
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane?
The IUPAC name of 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane (CID 71346298) is 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane.
What is the SMILES notation for 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane?
The canonical SMILES for 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane is CCCC[Sn]1(CCCC)OC(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane?
The InChIKey is XFKDOJLLZIITQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.2C4H9.Sn/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;2*1-3-4-2;/h1-10,13-14H;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane?
2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane has a molecular weight of 445.19 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-4,5-diphenyl-1,3,2-dioxastannolane is sourced from PubChem (CID 71346298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).