tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane

C25H45NOSn — CID 175730115

IUPACtributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(O[C@H]2CCC[C@H](C)C2)c(C)n1
InChIInChI=1S/C13H18NO.3C4H9.Sn/c1-10-5-3-6-12(9-10)15-13-7-4-8-14-11(13)2;3*1-3-4-2;/h4,7,10,12H,3,5-6,9H2,1-2H3;3*1,3-4H2,2H3;/t10-,12-;;;;/m0..../s1
InChIKeyZCXNAUOPTWZEIF-FVXARIKBSA-N
MW494.35 g/mol
LogP7.40
Rot. Bonds12

About tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane

tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane (PubChem CID 175730115) has the molecular formula C25H45NOSn and a molecular weight of 494.35 g/mol. Its IUPAC name is tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane.

Molecular Properties

Compound Nametributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane
PubChem CID175730115
Molecular FormulaC25H45NOSn
Molecular Weight494.35 g/mol
Exact Mass495.25
IUPAC Nametributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(O[C@H]2CCC[C@H](C)C2)c(C)n1
InChIInChI=1S/C13H18NO.3C4H9.Sn/c1-10-5-3-6-12(9-10)15-13-7-4-8-14-11(13)2;3*1-3-4-2;/h4,7,10,12H,3,5-6,9H2,1-2H3;3*1,3-4H2,2H3;/t10-,12-;;;;/m0..../s1
InChIKeyZCXNAUOPTWZEIF-FVXARIKBSA-N
XLogP7.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.35
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane?
The IUPAC name of tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane (CID 175730115) is tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane.
What is the SMILES notation for tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane?
The canonical SMILES for tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(O[C@H]2CCC[C@H](C)C2)c(C)n1.
What is the InChIKey of tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane?
The InChIKey is ZCXNAUOPTWZEIF-FVXARIKBSA-N. The full InChI is InChI=1S/C13H18NO.3C4H9.Sn/c1-10-5-3-6-12(9-10)15-13-7-4-8-14-11(13)2;3*1-3-4-2;/h4,7,10,12H,3,5-6,9H2,1-2H3;3*1,3-4H2,2H3;/t10-,12-;;;;/m0..../s1.
What are the key properties of tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane?
tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane has a molecular weight of 494.35 g/mol, XLogP of 7.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]stannane is sourced from PubChem (CID 175730115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).