tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane

C20H42O2Sn — CID 11590114

IUPACtributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1O[C@@H]([C@H](C)OC)C[C@@H]1C
InChIInChI=1S/C8H15O2.3C4H9.Sn/c1-6-4-8(10-5-6)7(2)9-3;3*1-3-4-2;/h5-8H,4H2,1-3H3;3*1,3-4H2,2H3;/t6-,7-,8+;;;;/m0..../s1
InChIKeyWLRJLLZMMFROQW-UAXIMCPVSA-N
MW433.27 g/mol
LogP6.20
Rot. Bonds12

About tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane

tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane (PubChem CID 11590114) has the molecular formula C20H42O2Sn and a molecular weight of 433.27 g/mol. Its IUPAC name is tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane
PubChem CID11590114
Molecular FormulaC20H42O2Sn
Molecular Weight433.27 g/mol
Exact Mass434.22
IUPAC Nametributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1O[C@@H]([C@H](C)OC)C[C@@H]1C
InChIInChI=1S/C8H15O2.3C4H9.Sn/c1-6-4-8(10-5-6)7(2)9-3;3*1-3-4-2;/h5-8H,4H2,1-3H3;3*1,3-4H2,2H3;/t6-,7-,8+;;;;/m0..../s1
InChIKeyWLRJLLZMMFROQW-UAXIMCPVSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane with MolForge

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Related Compounds

4-Ethyl-2-(methoxymethyl)oxolane
CID 140191131
copper(1+);(2R,4S)-2-[(1S)-1-methoxyethyl]-4-methyl-2,3,4,5-tetrahydrofuran-5-ide
CID 16689209
2-(2-Ethylhexoxymethyl)oxolane
CID 19370724
5-(Methoxymethyl)-2,2-dimethyloxolane
CID 20665201
5-(Ethoxymethyl)-2,2-dimethyloxolane
CID 20754038
(2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane
CID 22882758
(2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane
CID 22882760
(2R,3R,4R,5S)-2,3,5-trimethoxy-1,4,6-tris(4-methylpentan-2-yloxy)hexane
CID 22882763
(2R,3R,4R,5S)-2,3,5-triethoxy-1,4,6-tris(4-methylpentan-2-yloxy)hexane
CID 22942431
3-[(2R,3R,4R,5S)-3-butan-2-yloxy-2-(2,4-dimethylpentan-3-yloxy)-4,5,6-triethoxyhexoxy]-2,4-dimethylpentane
CID 22942434
2-(Methoxymethyl)-3,5-dimethyloxolane
CID 23393251
(2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 54483234

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane?
The IUPAC name of tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane (CID 11590114) is tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane.
What is the SMILES notation for tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane?
The canonical SMILES for tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)[C@@H]1O[C@@H]([C@H](C)OC)C[C@@H]1C.
What is the InChIKey of tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane?
The InChIKey is WLRJLLZMMFROQW-UAXIMCPVSA-N. The full InChI is InChI=1S/C8H15O2.3C4H9.Sn/c1-6-4-8(10-5-6)7(2)9-3;3*1-3-4-2;/h5-8H,4H2,1-3H3;3*1,3-4H2,2H3;/t6-,7-,8+;;;;/m0..../s1.
What are the key properties of tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane?
tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane has a molecular weight of 433.27 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2S,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]stannane is sourced from PubChem (CID 11590114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).