tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane

C30H47NO3Sn — CID 11753586

IUPACtributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)COCc1cc(C2=NC(C)(C)CO2)c2ccccc2c1OC
InChIInChI=1S/C18H20NO3.3C4H9.Sn/c1-18(2)11-22-17(19-18)15-9-12(10-20-3)16(21-4)14-8-6-5-7-13(14)15;3*1-3-4-2;/h5-9H,3,10-11H2,1-2,4H3;3*1,3-4H2,2H3;
InChIKeyOXCCPJUXICAHFD-UHFFFAOYSA-N
MW588.42 g/mol
LogP8.31
Rot. Bonds15

About tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane

tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane (PubChem CID 11753586) has the molecular formula C30H47NO3Sn and a molecular weight of 588.42 g/mol. Its IUPAC name is tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane.

Molecular Properties

Compound Nametributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane
PubChem CID11753586
Molecular FormulaC30H47NO3Sn
Molecular Weight588.42 g/mol
Exact Mass589.26
IUPAC Nametributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)COCc1cc(C2=NC(C)(C)CO2)c2ccccc2c1OC
InChIInChI=1S/C18H20NO3.3C4H9.Sn/c1-18(2)11-22-17(19-18)15-9-12(10-20-3)16(21-4)14-8-6-5-7-13(14)15;3*1-3-4-2;/h5-9H,3,10-11H2,1-2,4H3;3*1,3-4H2,2H3;
InChIKeyOXCCPJUXICAHFD-UHFFFAOYSA-N
XLogP8.31
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.42
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane?
The IUPAC name of tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane (CID 11753586) is tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane.
What is the SMILES notation for tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane?
The canonical SMILES for tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane is CCCC[Sn](CCCC)(CCCC)COCc1cc(C2=NC(C)(C)CO2)c2ccccc2c1OC.
What is the InChIKey of tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane?
The InChIKey is OXCCPJUXICAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO3.3C4H9.Sn/c1-18(2)11-22-17(19-18)15-9-12(10-20-3)16(21-4)14-8-6-5-7-13(14)15;3*1-3-4-2;/h5-9H,3,10-11H2,1-2,4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane?
tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane has a molecular weight of 588.42 g/mol, XLogP of 8.31, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methoxynaphthalen-2-yl]methoxymethyl]stannane is sourced from PubChem (CID 11753586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).