tributyl-(3-methoxy-5-methylphenyl)stannane

C20H36OSn — CID 159276373

IUPACtributyl-(3-methoxy-5-methylphenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)cc(OC)c1
InChIInChI=1S/C8H9O.3C4H9.Sn/c1-7-4-3-5-8(6-7)9-2;3*1-3-4-2;/h4-6H,1-2H3;3*1,3-4H2,2H3;
InChIKeyDEZZTZDEUQUZCF-UHFFFAOYSA-N
MW411.22 g/mol
LogP6.06
Rot. Bonds11

About tributyl-(3-methoxy-5-methylphenyl)stannane

tributyl-(3-methoxy-5-methylphenyl)stannane (PubChem CID 159276373) has the molecular formula C20H36OSn and a molecular weight of 411.22 g/mol. Its IUPAC name is tributyl-(3-methoxy-5-methylphenyl)stannane.

Molecular Properties

Compound Nametributyl-(3-methoxy-5-methylphenyl)stannane
PubChem CID159276373
Molecular FormulaC20H36OSn
Molecular Weight411.22 g/mol
Exact Mass412.18
IUPAC Nametributyl-(3-methoxy-5-methylphenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)cc(OC)c1
InChIInChI=1S/C8H9O.3C4H9.Sn/c1-7-4-3-5-8(6-7)9-2;3*1-3-4-2;/h4-6H,1-2H3;3*1,3-4H2,2H3;
InChIKeyDEZZTZDEUQUZCF-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.22
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
tributyl-(4-methoxyphenyl)stannane
CID 2762547
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
ethane;1-methoxy-3-methyl-5-propylbenzene;propane
CID 176999731
1-butyl-3,5-dimethoxybenzene
CID 524875
3-methoxy-5-methylbenzenethiol
CID 22504719
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
CID 142513471
azane;[5,6-bis[(4-methoxyphenyl)methyl]-4-methyl-2-pyridinyl]-tributylstannane
CID 175081756
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
ditert-butyl-(3-methoxy-5-methylphenyl)phosphane
CID 118501545

Frequently Asked Questions

What is the IUPAC name of tributyl-(3-methoxy-5-methylphenyl)stannane?
The IUPAC name of tributyl-(3-methoxy-5-methylphenyl)stannane (CID 159276373) is tributyl-(3-methoxy-5-methylphenyl)stannane.
What is the SMILES notation for tributyl-(3-methoxy-5-methylphenyl)stannane?
The canonical SMILES for tributyl-(3-methoxy-5-methylphenyl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc(C)cc(OC)c1.
What is the InChIKey of tributyl-(3-methoxy-5-methylphenyl)stannane?
The InChIKey is DEZZTZDEUQUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.3C4H9.Sn/c1-7-4-3-5-8(6-7)9-2;3*1-3-4-2;/h4-6H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3-methoxy-5-methylphenyl)stannane?
tributyl-(3-methoxy-5-methylphenyl)stannane has a molecular weight of 411.22 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-methoxy-5-methylphenyl)stannane is sourced from PubChem (CID 159276373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).