butane;1-phenylethane-1,2-diolate;tin(2+)

C16H28O2Sn — CID 171375655

IUPACbutane;1-phenylethane-1,2-diolate;tin(2+)
SMILESCCCC.CCCC.[O-]CC([O-])c1ccccc1.[Sn+2]
InChIInChI=1S/C8H8O2.2C4H10.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8H,6H2;2*3-4H2,1-2H3;/q-2;;;+2
InChIKeyXYZXGPFONBPUJC-UHFFFAOYSA-N
MW371.11 g/mol
LogP2.68
Rot. Bonds4

About butane;1-phenylethane-1,2-diolate;tin(2+)

butane;1-phenylethane-1,2-diolate;tin(2+) (PubChem CID 171375655) has the molecular formula C16H28O2Sn and a molecular weight of 371.11 g/mol. Its IUPAC name is butane;1-phenylethane-1,2-diolate;tin(2+).

Molecular Properties

Compound Namebutane;1-phenylethane-1,2-diolate;tin(2+)
PubChem CID171375655
Molecular FormulaC16H28O2Sn
Molecular Weight371.11 g/mol
Exact Mass372.11
IUPAC Namebutane;1-phenylethane-1,2-diolate;tin(2+)
SMILESCCCC.CCCC.[O-]CC([O-])c1ccccc1.[Sn+2]
InChIInChI=1S/C8H8O2.2C4H10.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8H,6H2;2*3-4H2,1-2H3;/q-2;;;+2
InChIKeyXYZXGPFONBPUJC-UHFFFAOYSA-N
XLogP2.68
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.11
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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butane;triphenylphosphane
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pentan-2-ylbenzene
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3-chlorohexan-2-ylbenzene
CID 83050941
diphenyltin(2+);bis(2-ethylbutan-1-olate)
CID 67422574
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
azane;1,1'-biphenyl;butane
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1-phenylbutylsilane
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(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186

Frequently Asked Questions

What is the IUPAC name of butane;1-phenylethane-1,2-diolate;tin(2+)?
The IUPAC name of butane;1-phenylethane-1,2-diolate;tin(2+) (CID 171375655) is butane;1-phenylethane-1,2-diolate;tin(2+).
What is the SMILES notation for butane;1-phenylethane-1,2-diolate;tin(2+)?
The canonical SMILES for butane;1-phenylethane-1,2-diolate;tin(2+) is CCCC.CCCC.[O-]CC([O-])c1ccccc1.[Sn+2].
What is the InChIKey of butane;1-phenylethane-1,2-diolate;tin(2+)?
The InChIKey is XYZXGPFONBPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.2C4H10.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8H,6H2;2*3-4H2,1-2H3;/q-2;;;+2.
What are the key properties of butane;1-phenylethane-1,2-diolate;tin(2+)?
butane;1-phenylethane-1,2-diolate;tin(2+) has a molecular weight of 371.11 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-phenylethane-1,2-diolate;tin(2+) is sourced from PubChem (CID 171375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).