9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol

C29H50O3Si2 — CID 139755705

IUPAC9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
SMILESCC[Si](CC)(CC)OCCC1C=C2C#CC(C)(C)CC(O[Si](CC)(CC)CC)C#CCC2(O)C1
InChIInChI=1S/C29H50O3Si2/c1-9-33(10-2,11-3)31-21-18-25-22-26-17-20-28(7,8)24-27(16-15-19-29(26,30)23-25)32-34(12-4,13-5)14-6/h22,25,27,30H,9-14,18-19,21,23-24H2,1-8H3
InChIKeyQGOKBMWYKIBZHT-UHFFFAOYSA-N
MW502.89 g/mol
LogP7.29
Rot. Bonds12

About 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol

9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol (PubChem CID 139755705) has the molecular formula C29H50O3Si2 and a molecular weight of 502.89 g/mol. Its IUPAC name is 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol.

Molecular Properties

Compound Name9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
PubChem CID139755705
Molecular FormulaC29H50O3Si2
Molecular Weight502.89 g/mol
Exact Mass502.33
IUPAC Name9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
SMILESCC[Si](CC)(CC)OCCC1C=C2C#CC(C)(C)CC(O[Si](CC)(CC)CC)C#CCC2(O)C1
InChIInChI=1S/C29H50O3Si2/c1-9-33(10-2,11-3)31-21-18-25-22-26-17-20-28(7,8)24-27(16-15-19-29(26,30)23-25)32-34(12-4,13-5)14-6/h22,25,27,30H,9-14,18-19,21,23-24H2,1-8H3
InChIKeyQGOKBMWYKIBZHT-UHFFFAOYSA-N
XLogP7.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.89
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol with MolForge

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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
2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
CID 15233711
2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulene-3a,7-diol
CID 88489575
2-(2-hydroxyethyl)-9,9-dimethyl-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulene-3a,7-diol
CID 139755708
2-Bromo-1-(6,6-dimethyl-8-tributylstannyl-4-triethylsilyloxyocta-2,7-diynyl)-4-(2-triethylsilyloxyethyl)cyclopent-2-en-1-ol
CID 139755709
(2S)-2-[(3aR,4S,7aS)-7a-methyl-4-trimethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-6-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-4-yn-2-ol
CID 100993419

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?
The IUPAC name of 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol (CID 139755705) is 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol.
What is the SMILES notation for 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?
The canonical SMILES for 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol is CC[Si](CC)(CC)OCCC1C=C2C#CC(C)(C)CC(O[Si](CC)(CC)CC)C#CCC2(O)C1.
What is the InChIKey of 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?
The InChIKey is QGOKBMWYKIBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50O3Si2/c1-9-33(10-2,11-3)31-21-18-25-22-26-17-20-28(7,8)24-27(16-15-19-29(26,30)23-25)32-34(12-4,13-5)14-6/h22,25,27,30H,9-14,18-19,21,23-24H2,1-8H3.
What are the key properties of 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?
9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol has a molecular weight of 502.89 g/mol, XLogP of 7.29, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-triethylsilyloxy-2-(2-triethylsilyloxyethyl)-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol is sourced from PubChem (CID 139755705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).