11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol

C34H68O2SiSn — CID 88777727

IUPAC11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol
SMILESC=C(C#CC(O[Si](CC)(CC)CC)C(C)CCC)C(O)CCCCC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C22H41O2Si.3C4H9.Sn/c1-8-13-14-16-21(23)19(6)17-18-22(20(7)15-9-2)24-25(10-3,11-4)12-5;3*1-3-4-2;/h20-23H,1,6,8-16H2,2-5,7H3;3*1,3-4H2,2H3;
InChIKeyCYZBOYYGNXQIHN-UHFFFAOYSA-N
MW655.71 g/mol
LogP11.14
Rot. Bonds24

About 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol

11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol (PubChem CID 88777727) has the molecular formula C34H68O2SiSn and a molecular weight of 655.71 g/mol. Its IUPAC name is 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol.

Molecular Properties

Compound Name11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol
PubChem CID88777727
Molecular FormulaC34H68O2SiSn
Molecular Weight655.71 g/mol
Exact Mass656.40
IUPAC Name11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol
SMILESC=C(C#CC(O[Si](CC)(CC)CC)C(C)CCC)C(O)CCCCC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C22H41O2Si.3C4H9.Sn/c1-8-13-14-16-21(23)19(6)17-18-22(20(7)15-9-2)24-25(10-3,11-4)12-5;3*1-3-4-2;/h20-23H,1,6,8-16H2,2-5,7H3;3*1,3-4H2,2H3;
InChIKeyCYZBOYYGNXQIHN-UHFFFAOYSA-N
XLogP11.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.71
LogP ≤ 511.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol?
The IUPAC name of 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol (CID 88777727) is 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol.
What is the SMILES notation for 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol?
The canonical SMILES for 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol is C=C(C#CC(O[Si](CC)(CC)CC)C(C)CCC)C(O)CCCCC[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol?
The InChIKey is CYZBOYYGNXQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41O2Si.3C4H9.Sn/c1-8-13-14-16-21(23)19(6)17-18-22(20(7)15-9-2)24-25(10-3,11-4)12-5;3*1-3-4-2;/h20-23H,1,6,8-16H2,2-5,7H3;3*1,3-4H2,2H3;.
What are the key properties of 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol?
11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol has a molecular weight of 655.71 g/mol, XLogP of 11.14, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol is sourced from PubChem (CID 88777727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).