tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane

C24H50OSn — CID 11363468

IUPACtributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane
SMILESCCCCCCCCCC[C@@H]1O[C@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H23O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-12-11-13-12;3*1-3-4-2;/h11-12H,2-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1
InChIKeyVBFJQOVIZSPHTM-KCOFNFEMSA-N
MW473.37 g/mol
LogP8.67
Rot. Bonds19

About tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane

tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane (PubChem CID 11363468) has the molecular formula C24H50OSn and a molecular weight of 473.37 g/mol. Its IUPAC name is tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane
PubChem CID11363468
Molecular FormulaC24H50OSn
Molecular Weight473.37 g/mol
Exact Mass474.29
IUPAC Nametributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane
SMILESCCCCCCCCCC[C@@H]1O[C@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H23O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-12-11-13-12;3*1-3-4-2;/h11-12H,2-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1
InChIKeyVBFJQOVIZSPHTM-KCOFNFEMSA-N
XLogP8.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977
2-ethyl-3-henicosyloxirane
CID 20501424
3-dodecyl-N,N-dipropyloxiran-2-amine
CID 57066410
2-decyl-3-pent-4-enyloxirane
CID 57481003

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane?
The IUPAC name of tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane (CID 11363468) is tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane.
What is the SMILES notation for tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane?
The canonical SMILES for tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane is CCCCCCCCCC[C@@H]1O[C@H]1[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane?
The InChIKey is VBFJQOVIZSPHTM-KCOFNFEMSA-N. The full InChI is InChI=1S/C12H23O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-12-11-13-12;3*1-3-4-2;/h11-12H,2-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1.
What are the key properties of tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane?
tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane has a molecular weight of 473.37 g/mol, XLogP of 8.67, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2S,3S)-3-decyloxiran-2-yl]stannane is sourced from PubChem (CID 11363468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).