2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol

C33H59BrO2SiSn — CID 14985555

IUPAC2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol
SMILESCCCC[Sn](C#CC(C)(C)CC(C#CCC1(O)CCC=C1Br)O[Si](CC)(CC)CC)(CCCC)CCCC
InChIInChI=1S/C21H32BrO2Si.3C4H9.Sn/c1-7-20(5,6)17-18(24-25(8-2,9-3)10-4)13-11-15-21(23)16-12-14-19(21)22;3*1-3-4-2;/h14,18,23H,8-10,12,15-17H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyOJVWNXDXXIUOTG-UHFFFAOYSA-N
MW714.53 g/mol
LogP10.38
Rot. Bonds17

About 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol

2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol (PubChem CID 14985555) has the molecular formula C33H59BrO2SiSn and a molecular weight of 714.53 g/mol. Its IUPAC name is 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol
PubChem CID14985555
Molecular FormulaC33H59BrO2SiSn
Molecular Weight714.53 g/mol
Exact Mass714.25
IUPAC Name2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol
SMILESCCCC[Sn](C#CC(C)(C)CC(C#CCC1(O)CCC=C1Br)O[Si](CC)(CC)CC)(CCCC)CCCC
InChIInChI=1S/C21H32BrO2Si.3C4H9.Sn/c1-7-20(5,6)17-18(24-25(8-2,9-3)10-4)13-11-15-21(23)16-12-14-19(21)22;3*1-3-4-2;/h14,18,23H,8-10,12,15-17H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyOJVWNXDXXIUOTG-UHFFFAOYSA-N
XLogP10.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.53
LogP ≤ 510.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
CID 14985556
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol
CID 15109376
2-Bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)-4-(2-triethylsilyloxyethyl)cyclopent-2-en-1-ol
CID 139755709
2-Bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-(6,6-dimethyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol
CID 139763900
2-Bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol
CID 139763901
2-Bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol
CID 139763903
2-Bromo-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 177454774

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol?
The IUPAC name of 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol (CID 14985555) is 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol?
The canonical SMILES for 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol is CCCC[Sn](C#CC(C)(C)CC(C#CCC1(O)CCC=C1Br)O[Si](CC)(CC)CC)(CCCC)CCCC.
What is the InChIKey of 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol?
The InChIKey is OJVWNXDXXIUOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BrO2Si.3C4H9.Sn/c1-7-20(5,6)17-18(24-25(8-2,9-3)10-4)13-11-15-21(23)16-12-14-19(21)22;3*1-3-4-2;/h14,18,23H,8-10,12,15-17H2,2-6H3;3*1,3-4H2,2H3;.
What are the key properties of 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol?
2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol has a molecular weight of 714.53 g/mol, XLogP of 10.38, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 14985555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).