tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane

C19H36O2Sn — CID 15688971

IUPACtributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(COC)c(C)o1
InChIInChI=1S/C7H9O2.3C4H9.Sn/c1-6-7(5-8-2)3-4-9-6;3*1-3-4-2;/h3H,5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyMEPWQEGZHJNGLR-UHFFFAOYSA-N
MW415.21 g/mol
LogP5.79
Rot. Bonds12

About tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane

tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane (PubChem CID 15688971) has the molecular formula C19H36O2Sn and a molecular weight of 415.21 g/mol. Its IUPAC name is tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane
PubChem CID15688971
Molecular FormulaC19H36O2Sn
Molecular Weight415.21 g/mol
Exact Mass416.17
IUPAC Nametributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(COC)c(C)o1
InChIInChI=1S/C7H9O2.3C4H9.Sn/c1-6-7(5-8-2)3-4-9-6;3*1-3-4-2;/h3H,5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyMEPWQEGZHJNGLR-UHFFFAOYSA-N
XLogP5.79
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.21
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetyl-2,5-dimethylfuran
CID 61527
2-Methyl-3(2-furyl)acrolein
CID 6210220
2,3-Dimethylfuran
CID 34337
2-Furfurylidenebutyraldehyde
CID 6435826
2,4-Dimethylfuran
CID 19462
3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester
CID 80248
2-Methylfuran-3-carbaldehyde
CID 12735590
Methyl 2-methylfuran-3-carboxylate
CID 80237
Ethyl 2-Methyl-3-furoate
CID 261900
(5-Methylfuran-3-yl)methanol
CID 21608018
(2,5-Dimethylfuran-3-yl)methanol
CID 10396847
2-[(Furan-2-yl)methylidene]butanal
CID 61210

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane?
The IUPAC name of tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane (CID 15688971) is tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane.
What is the SMILES notation for tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane?
The canonical SMILES for tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc(COC)c(C)o1.
What is the InChIKey of tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane?
The InChIKey is MEPWQEGZHJNGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2.3C4H9.Sn/c1-6-7(5-8-2)3-4-9-6;3*1-3-4-2;/h3H,5H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane?
tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane has a molecular weight of 415.21 g/mol, XLogP of 5.79, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(methoxymethyl)-5-methylfuran-2-yl]stannane is sourced from PubChem (CID 15688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).