[(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane

C25H47BrOSi — CID 22983259

IUPAC[(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@H]1/C(=C/Br)CC2CCCC[C@]21C
InChIInChI=1S/C25H47BrOSi/c1-8-28(9-2,10-3)27-24(5,6)16-13-14-20(4)23-21(19-26)18-22-15-11-12-17-25(22,23)7/h19-20,22-23H,8-18H2,1-7H3/b21-19+/t20-,22?,23-,25+/m0/s1
InChIKeyAAAFCVJBLNUXKA-NGUWAZHLSA-N
MW471.64 g/mol
LogP9.09
Rot. Bonds10

About [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane

[(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane (PubChem CID 22983259) has the molecular formula C25H47BrOSi and a molecular weight of 471.64 g/mol. Its IUPAC name is [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
PubChem CID22983259
Molecular FormulaC25H47BrOSi
Molecular Weight471.64 g/mol
Exact Mass470.26
IUPAC Name[(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@H]1/C(=C/Br)CC2CCCC[C@]21C
InChIInChI=1S/C25H47BrOSi/c1-8-28(9-2,10-3)27-24(5,6)16-13-14-20(4)23-21(19-26)18-22-15-11-12-17-25(22,23)7/h19-20,22-23H,8-18H2,1-7H3/b21-19+/t20-,22?,23-,25+/m0/s1
InChIKeyAAAFCVJBLNUXKA-NGUWAZHLSA-N
XLogP9.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.64
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane 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 [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?
The IUPAC name of [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane (CID 22983259) is [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?
The canonical SMILES for [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@H]1/C(=C/Br)CC2CCCC[C@]21C.
What is the InChIKey of [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?
The InChIKey is AAAFCVJBLNUXKA-NGUWAZHLSA-N. The full InChI is InChI=1S/C25H47BrOSi/c1-8-28(9-2,10-3)27-24(5,6)16-13-14-20(4)23-21(19-26)18-22-15-11-12-17-25(22,23)7/h19-20,22-23H,8-18H2,1-7H3/b21-19+/t20-,22?,23-,25+/m0/s1.
What are the key properties of [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane?
[(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane has a molecular weight of 471.64 g/mol, XLogP of 9.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-[(1R,2E,7aR)-2-(bromomethylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 22983259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).