tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium

C12H27Sn+ — CID 171703377

IUPACtris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[Sn+](C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1/i3*1D2,2D3,3D2,4D2;
InChIKeyLSKGFBJLYWXIOF-KABRBKSESA-N
MW317.22 g/mol
LogP4.88
Rot. Bonds12

About tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium

tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium (PubChem CID 171703377) has the molecular formula C12H27Sn+ and a molecular weight of 317.22 g/mol. Its IUPAC name is tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium.

Molecular Properties

Compound Nametris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium
PubChem CID171703377
Molecular FormulaC12H27Sn+
Molecular Weight317.22 g/mol
Exact Mass318.28
IUPAC Nametris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[Sn+](C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1/i3*1D2,2D3,3D2,4D2;
InChIKeyLSKGFBJLYWXIOF-KABRBKSESA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-tetrapentacontadeuteriohexacosane
CID 101036681
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecan-1-ol
CID 101266014
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanamide
CID 156800033
dichloro-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctyl)stannane
CID 169439079
1,1,1,2,2,3,3,4,4,5,5,6,7,7,7-pentadecadeuterio-6-methylheptane
CID 524592
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-one
CID 71751283
sodium 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoate
CID 172990096
1,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecadeuterioheptan-1-one
CID 71317205
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-heptatetracontadeuteriotetracosanoic acid
CID 102352988
CID 131878087
CID 131878087
1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
CID 90472115
sodium 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoate
CID 90472108

Frequently Asked Questions

What is the IUPAC name of tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium?
The IUPAC name of tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium (CID 171703377) is tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium.
What is the SMILES notation for tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium?
The canonical SMILES for tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[Sn+](C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H].
What is the InChIKey of tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium?
The InChIKey is LSKGFBJLYWXIOF-KABRBKSESA-N. The full InChI is InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1/i3*1D2,2D3,3D2,4D2;.
What are the key properties of tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium?
tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium has a molecular weight of 317.22 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannanylium is sourced from PubChem (CID 171703377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).