butyl(2-ethylhexyl)tin(2+);methanolate

C14H32O2Sn — CID 23025335

IUPACbutyl(2-ethylhexyl)tin(2+);methanolate
SMILESCCCC[Sn+2]CC(CC)CCCC.C[O-].C[O-]
InChIInChI=1S/C8H17.C4H9.2CH3O.Sn/c1-4-6-7-8(3)5-2;1-3-4-2;2*1-2;/h8H,3-7H2,1-2H3;1,3-4H2,2H3;2*1H3;/q;;2*-1;+2
InChIKeyTWPGPCVVLAXPBE-UHFFFAOYSA-N
MW351.12 g/mol
LogP2.50
Rot. Bonds9

About butyl(2-ethylhexyl)tin(2+);methanolate

butyl(2-ethylhexyl)tin(2+);methanolate (PubChem CID 23025335) has the molecular formula C14H32O2Sn and a molecular weight of 351.12 g/mol. Its IUPAC name is butyl(2-ethylhexyl)tin(2+);methanolate.

Molecular Properties

Compound Namebutyl(2-ethylhexyl)tin(2+);methanolate
PubChem CID23025335
Molecular FormulaC14H32O2Sn
Molecular Weight351.12 g/mol
Exact Mass352.14
IUPAC Namebutyl(2-ethylhexyl)tin(2+);methanolate
SMILESCCCC[Sn+2]CC(CC)CCCC.C[O-].C[O-]
InChIInChI=1S/C8H17.C4H9.2CH3O.Sn/c1-4-6-7-8(3)5-2;1-3-4-2;2*1-2;/h8H,3-7H2,1-2H3;1,3-4H2,2H3;2*1H3;/q;;2*-1;+2
InChIKeyTWPGPCVVLAXPBE-UHFFFAOYSA-N
XLogP2.50
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23510548
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
5-ethylnonane;5-propylnonane
CID 157441807
magnesium bis(2-ethylheptan-1-olate)
CID 141251030
CID 160955383
CID 160955383
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(5S)-3,5-diethylnonane;methane
CID 159387669
(2S)-2-ethylhexan-1-amine
CID 6999997
2-chloro-6-ethyldecane
CID 64514713
3-ethyloctane;propane
CID 143682929
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902

Frequently Asked Questions

What is the IUPAC name of butyl(2-ethylhexyl)tin(2+);methanolate?
The IUPAC name of butyl(2-ethylhexyl)tin(2+);methanolate (CID 23025335) is butyl(2-ethylhexyl)tin(2+);methanolate.
What is the SMILES notation for butyl(2-ethylhexyl)tin(2+);methanolate?
The canonical SMILES for butyl(2-ethylhexyl)tin(2+);methanolate is CCCC[Sn+2]CC(CC)CCCC.C[O-].C[O-].
What is the InChIKey of butyl(2-ethylhexyl)tin(2+);methanolate?
The InChIKey is TWPGPCVVLAXPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C4H9.2CH3O.Sn/c1-4-6-7-8(3)5-2;1-3-4-2;2*1-2;/h8H,3-7H2,1-2H3;1,3-4H2,2H3;2*1H3;/q;;2*-1;+2.
What are the key properties of butyl(2-ethylhexyl)tin(2+);methanolate?
butyl(2-ethylhexyl)tin(2+);methanolate has a molecular weight of 351.12 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-ethylhexyl)tin(2+);methanolate is sourced from PubChem (CID 23025335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).