4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol

C21H42O2Sn — CID 135007989

IUPAC4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)C1CC2(C)OC1C(O)CC2C
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-6-5-7(10)8-3-4-9(6,2)11-8;3*1-3-4-2;/h3,6-8,10H,4-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyLEBMJXXCULULSN-UHFFFAOYSA-N
MW445.28 g/mol
LogP6.15
Rot. Bonds10

About 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol

4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol (PubChem CID 135007989) has the molecular formula C21H42O2Sn and a molecular weight of 445.28 g/mol. Its IUPAC name is 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol
PubChem CID135007989
Molecular FormulaC21H42O2Sn
Molecular Weight445.28 g/mol
Exact Mass446.22
IUPAC Name4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)C1CC2(C)OC1C(O)CC2C
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-6-5-7(10)8-3-4-9(6,2)11-8;3*1-3-4-2;/h3,6-8,10H,4-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyLEBMJXXCULULSN-UHFFFAOYSA-N
XLogP6.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol?
The IUPAC name of 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol (CID 135007989) is 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol is CCCC[Sn](CCCC)(CCCC)C1CC2(C)OC1C(O)CC2C.
What is the InChIKey of 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol?
The InChIKey is LEBMJXXCULULSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.3C4H9.Sn/c1-6-5-7(10)8-3-4-9(6,2)11-8;3*1-3-4-2;/h3,6-8,10H,4-5H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol?
4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol has a molecular weight of 445.28 g/mol, XLogP of 6.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-7-tributylstannyl-8-oxabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 135007989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).