tributylstannyl (2S)-2-ethylhexanoate

C20H42O2Sn — CID 99771012

IUPACtributylstannyl (2S)-2-ethylhexanoate
SMILESCCCC[C@H](CC)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/t7-;;;;/m0..../s1
InChIKeyNJBLMKDJCMZEJZ-HEDVWWMMSA-M
MW433.27 g/mol
LogP7.09
Rot. Bonds15

About tributylstannyl (2S)-2-ethylhexanoate

tributylstannyl (2S)-2-ethylhexanoate (PubChem CID 99771012) has the molecular formula C20H42O2Sn and a molecular weight of 433.27 g/mol. Its IUPAC name is tributylstannyl (2S)-2-ethylhexanoate.

Molecular Properties

Compound Nametributylstannyl (2S)-2-ethylhexanoate
PubChem CID99771012
Molecular FormulaC20H42O2Sn
Molecular Weight433.27 g/mol
Exact Mass434.22
IUPAC Nametributylstannyl (2S)-2-ethylhexanoate
SMILESCCCC[C@H](CC)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/t7-;;;;/m0..../s1
InChIKeyNJBLMKDJCMZEJZ-HEDVWWMMSA-M
XLogP7.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[bis(2-ethylhexanoyloxy)-octylstannyl] 2-ethylhexanoate
CID 139864420
tribenzylstannyl 2-ethylhexanoate
CID 66766043
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
trimethylplumbyl 2-ethylhexanoate
CID 16683317
3,5-diethylnonan-4-one
CID 115785527
CID 16684285
CID 16684285
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
pentan-3-yl 2-ethylhexanoate
CID 22213614
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108

Frequently Asked Questions

What is the IUPAC name of tributylstannyl (2S)-2-ethylhexanoate?
The IUPAC name of tributylstannyl (2S)-2-ethylhexanoate (CID 99771012) is tributylstannyl (2S)-2-ethylhexanoate.
What is the SMILES notation for tributylstannyl (2S)-2-ethylhexanoate?
The canonical SMILES for tributylstannyl (2S)-2-ethylhexanoate is CCCC[C@H](CC)C(=O)O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributylstannyl (2S)-2-ethylhexanoate?
The InChIKey is NJBLMKDJCMZEJZ-HEDVWWMMSA-M. The full InChI is InChI=1S/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/t7-;;;;/m0..../s1.
What are the key properties of tributylstannyl (2S)-2-ethylhexanoate?
tributylstannyl (2S)-2-ethylhexanoate has a molecular weight of 433.27 g/mol, XLogP of 7.09, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl (2S)-2-ethylhexanoate is sourced from PubChem (CID 99771012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).