tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane

C27H56O6Sn — CID 173133127

IUPACtris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
SMILESCC(C)[SnH].CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O
InChIInChI=1S/3C8H16O2.C3H7.Sn.H/c3*1-3-5-6-7(4-2)8(9)10;1-3-2;;/h3*7H,3-6H2,1-2H3,(H,9,10);3H,1-2H3;;
InChIKeyALTUFSZNKRIISF-UHFFFAOYSA-N
MW595.45 g/mol
LogP7.58
Rot. Bonds15

About tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane

tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane (PubChem CID 173133127) has the molecular formula C27H56O6Sn and a molecular weight of 595.45 g/mol. Its IUPAC name is tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane.

Molecular Properties

Compound Nametris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
PubChem CID173133127
Molecular FormulaC27H56O6Sn
Molecular Weight595.45 g/mol
Exact Mass596.31
IUPAC Nametris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
SMILESCC(C)[SnH].CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O
InChIInChI=1S/3C8H16O2.C3H7.Sn.H/c3*1-3-5-6-7(4-2)8(9)10;1-3-2;;/h3*7H,3-6H2,1-2H3,(H,9,10);3H,1-2H3;;
InChIKeyALTUFSZNKRIISF-UHFFFAOYSA-N
XLogP7.58
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.45
LogP ≤ 57.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
2-ethylhexanoic acid;hexadecane
CID 174408772
CID 173015754
CID 173015754
CID 87238691
CID 87238691

Frequently Asked Questions

What is the IUPAC name of tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane?
The IUPAC name of tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane (CID 173133127) is tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane.
What is the SMILES notation for tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane?
The canonical SMILES for tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane is CC(C)[SnH].CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.
What is the InChIKey of tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane?
The InChIKey is ALTUFSZNKRIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H16O2.C3H7.Sn.H/c3*1-3-5-6-7(4-2)8(9)10;1-3-2;;/h3*7H,3-6H2,1-2H3,(H,9,10);3H,1-2H3;;.
What are the key properties of tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane?
tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane has a molecular weight of 595.45 g/mol, XLogP of 7.58, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane is sourced from PubChem (CID 173133127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).