2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole

C30H47NOSn — CID 58250109

IUPAC2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole
SMILESCc1cccc(C)c1N1c2cc(C(C)(C)C)cc(C(C)(C)C)c2O[Sn]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H30NO.2C4H9.Sn/c1-14-10-9-11-15(2)19(14)23-18-13-16(21(3,4)5)12-17(20(18)24)22(6,7)8;2*1-4(2)3;/h9-13,24H,1-8H3;2*1-3H3;/q-1;;;+2/p-1
InChIKeyLWCUGBMUWSTROG-UHFFFAOYSA-M
MW556.42 g/mol
LogP9.47
Rot. Bonds1

About 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole

2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole (PubChem CID 58250109) has the molecular formula C30H47NOSn and a molecular weight of 556.42 g/mol. Its IUPAC name is 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole.

Molecular Properties

Compound Name2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole
PubChem CID58250109
Molecular FormulaC30H47NOSn
Molecular Weight556.42 g/mol
Exact Mass557.27
IUPAC Name2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole
SMILESCc1cccc(C)c1N1c2cc(C(C)(C)C)cc(C(C)(C)C)c2O[Sn]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H30NO.2C4H9.Sn/c1-14-10-9-11-15(2)19(14)23-18-13-16(21(3,4)5)12-17(20(18)24)22(6,7)8;2*1-4(2)3;/h9-13,24H,1-8H3;2*1-3H3;/q-1;;;+2/p-1
InChIKeyLWCUGBMUWSTROG-UHFFFAOYSA-M
XLogP9.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.42
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,7,9-tetratert-butyl-5,11,11-trimethylbenzo[d][1,3,6,2]benzodioxazasilocine
CID 139108173
13-(4-tert-butyl-2,6-dimethylphenyl)-9,17-dimethyl-2-oxa-13-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 59572922
1,2-bis(5,7-ditert-butyl-2,2-diphenyl-1,3,2-benzoxazagermol-3-yl)ethane-1,2-dione
CID 101449550
1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione
CID 57001906
1-[4-(4-tert-butyl-2,6-dimethylphenyl)-3-methanimidoyl-8-methyl-1,4-benzoxazin-2-yl]ethanimine
CID 143411195
1,3,7,9-tetratert-butyl-11-chloro-5,11-diphenylbenzo[d][1,3,6,2]benzodioxazasilocine
CID 139093826
13-(4-tert-butyl-2,6-dimethylphenyl)-4,22-dimethyl-2-oxa-13-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 59573219
4-(2,4-ditert-butylphenyl)morpholine
CID 59709213
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586
CID 15962849
CID 15962849
3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole
CID 155708128
1,3,7,9-tetratert-butyl-11,11,11-triphenoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine
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Frequently Asked Questions

What is the IUPAC name of 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole?
The IUPAC name of 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole (CID 58250109) is 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole.
What is the SMILES notation for 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole?
The canonical SMILES for 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole is Cc1cccc(C)c1N1c2cc(C(C)(C)C)cc(C(C)(C)C)c2O[Sn]1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole?
The InChIKey is LWCUGBMUWSTROG-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H30NO.2C4H9.Sn/c1-14-10-9-11-15(2)19(14)23-18-13-16(21(3,4)5)12-17(20(18)24)22(6,7)8;2*1-4(2)3;/h9-13,24H,1-8H3;2*1-3H3;/q-1;;;+2/p-1.
What are the key properties of 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole?
2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole has a molecular weight of 556.42 g/mol, XLogP of 9.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7-tetratert-butyl-3-(2,6-dimethylphenyl)-1,3,2-benzoxazastannole is sourced from PubChem (CID 58250109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).