methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate

C16H32O3Sn — CID 15363581

IUPACmethyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1O[C@H]1C(=O)OC
InChIInChI=1S/C4H5O3.3C4H9.Sn/c1-6-4(5)3-2-7-3;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;/t3-;;;;/m1..../s1
InChIKeySDOYFJWSWBANCZ-ATESMDQDSA-N
MW391.14 g/mol
LogP4.32
Rot. Bonds11

About methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate

methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate (PubChem CID 15363581) has the molecular formula C16H32O3Sn and a molecular weight of 391.14 g/mol. Its IUPAC name is methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate
PubChem CID15363581
Molecular FormulaC16H32O3Sn
Molecular Weight391.14 g/mol
Exact Mass392.14
IUPAC Namemethyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1O[C@H]1C(=O)OC
InChIInChI=1S/C4H5O3.3C4H9.Sn/c1-6-4(5)3-2-7-3;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;/t3-;;;;/m1..../s1
InChIKeySDOYFJWSWBANCZ-ATESMDQDSA-N
XLogP4.32
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.14
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3R)-3-octyloxirane-2-carboxylate
CID 134894079
dimethyl (4R,5R)-2-nonyl-1,3-dioxolane-4,5-dicarboxylate
CID 14992896
methyl (2S,3R)-3-pentylsulfanylcarbonyloxirane-2-carboxylate
CID 11195633
methyl (2S,3R)-3-(heptylcarbamoyl)oxirane-2-carboxylate
CID 11817381
methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11166048
dimethyl (2S,3R,5R)-3-nonyloxolane-2,5-dicarboxylate
CID 10245121
dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
CID 130308368
methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate
CID 10624932
methyl 3-(4-hydroxy-3,3-dimethyloctyl)oxirane-2-carboxylate
CID 143946985
methyl (1S,3S,4R)-2-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 101100515
[(4R,5R)-5-(benzoyloxymethyl)-2-tributylstannyl-1,3-dioxolan-4-yl]methyl benzoate
CID 23240885
methyl (3aR,4R,6S,7R,7aS)-2,2-dibutyl-7-hydroxy-4-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxastannolo[4,5-c]pyran-6-carboxylate
CID 16686163

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate?
The IUPAC name of methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate (CID 15363581) is methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@@H]1O[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate?
The InChIKey is SDOYFJWSWBANCZ-ATESMDQDSA-N. The full InChI is InChI=1S/C4H5O3.3C4H9.Sn/c1-6-4(5)3-2-7-3;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;/t3-;;;;/m1..../s1.
What are the key properties of methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate?
methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate has a molecular weight of 391.14 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate is sourced from PubChem (CID 15363581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).