tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane

C22H46O2Sn — CID 11134330

IUPACtributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(OC(C)OC)C1CCCCC1
InChIInChI=1S/C10H19O2.3C4H9.Sn/c1-9(11-2)12-8-10-6-4-3-5-7-10;3*1-3-4-2;/h8-10H,3-7H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyXDJCFYPBGPVTPF-UHFFFAOYSA-N
MW461.32 g/mol
LogP7.33
Rot. Bonds14

About tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane

tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane (PubChem CID 11134330) has the molecular formula C22H46O2Sn and a molecular weight of 461.32 g/mol. Its IUPAC name is tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane.

Molecular Properties

Compound Nametributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane
PubChem CID11134330
Molecular FormulaC22H46O2Sn
Molecular Weight461.32 g/mol
Exact Mass462.25
IUPAC Nametributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(OC(C)OC)C1CCCCC1
InChIInChI=1S/C10H19O2.3C4H9.Sn/c1-9(11-2)12-8-10-6-4-3-5-7-10;3*1-3-4-2;/h8-10H,3-7H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyXDJCFYPBGPVTPF-UHFFFAOYSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tributyl-[cyclopropyl(methoxy)methyl]stannane
CID 68528396
[4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane
CID 11800661
N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine
CID 11026878
1-(dimethoxymethoxy)nonylcyclohexane
CID 151905093
dibutyl-(1-cyclohexylbutyl)-methylstannane
CID 150183423
tributyl-[cyclohexyl(methoxy)methyl]plumbane
CID 14761896
(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol
CID 177418456
tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane
CID 134889018
1-methoxyethylcyclooctane
CID 58445596
butan-2-ylcyclohexane;heptane
CID 143477095
tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate
CID 15164410
(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
CID 101356312

Frequently Asked Questions

What is the IUPAC name of tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane?
The IUPAC name of tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane (CID 11134330) is tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane.
What is the SMILES notation for tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane?
The canonical SMILES for tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane is CCCC[Sn](CCCC)(CCCC)C(OC(C)OC)C1CCCCC1.
What is the InChIKey of tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane?
The InChIKey is XDJCFYPBGPVTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O2.3C4H9.Sn/c1-9(11-2)12-8-10-6-4-3-5-7-10;3*1-3-4-2;/h8-10H,3-7H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane?
tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane has a molecular weight of 461.32 g/mol, XLogP of 7.33, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane is sourced from PubChem (CID 11134330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).