[(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane

C23H39BrOSi — CID 70187226

IUPAC[(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane
SMILESC[C@H](C[C@H]1C=C[C@](C)(O[Si](C)(C)C)C1)[C@H]1CCC2C(=CBr)CCC[C@]21C
InChIInChI=1S/C23H39BrOSi/c1-17(14-18-11-13-22(2,15-18)25-26(4,5)6)20-9-10-21-19(16-24)8-7-12-23(20,21)3/h11,13,16-18,20-21H,7-10,12,14-15H2,1-6H3/t17-,18-,20-,21?,22+,23+/m1/s1
InChIKeyRJYANFYDMCBWFD-GOUYWOOZSA-N
MW439.55 g/mol
LogP7.69
Rot. Bonds5

About [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane

[(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane (PubChem CID 70187226) has the molecular formula C23H39BrOSi and a molecular weight of 439.55 g/mol. Its IUPAC name is [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane
PubChem CID70187226
Molecular FormulaC23H39BrOSi
Molecular Weight439.55 g/mol
Exact Mass438.20
IUPAC Name[(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane
SMILESC[C@H](C[C@H]1C=C[C@](C)(O[Si](C)(C)C)C1)[C@H]1CCC2C(=CBr)CCC[C@]21C
InChIInChI=1S/C23H39BrOSi/c1-17(14-18-11-13-22(2,15-18)25-26(4,5)6)20-9-10-21-19(16-24)8-7-12-23(20,21)3/h11,13,16-18,20-21H,7-10,12,14-15H2,1-6H3/t17-,18-,20-,21?,22+,23+/m1/s1
InChIKeyRJYANFYDMCBWFD-GOUYWOOZSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4S)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 70187183
(1R,7aS)-7a-methyl-1-[(2R)-1-[(1S,4S)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 70187076
(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-(iodomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-ol
CID 57020646
[(1S,4S)-4-[(2R)-2-[(1R,7aS)-4-(iodomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propoxy]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 70187588
[(1S,4S)-4-[(2R)-2-[(1R,4E,7aR)-4-(iodomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propoxy]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 22882728
(1R,3aR,4Z,7aR)-4-(bromomethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 177463192
(4R)-4-[(1R,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pentanal
CID 54226923
[(3S,6S)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane
CID 69298387
(4S,5R)-5-[(2R)-2-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-methyl-3-methylideneoxolan-2-one
CID 58668259
5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one
CID 90978619
(4R,5R)-5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-ethyl-3-methylideneoxolan-2-one
CID 91145922
(4S,5R)-5-[(2R)-2-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylidene-4-(2-methylpropyl)oxolan-2-one
CID 11995432

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane (CID 70187226) is [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane is C[C@H](C[C@H]1C=C[C@](C)(O[Si](C)(C)C)C1)[C@H]1CCC2C(=CBr)CCC[C@]21C.
What is the InChIKey of [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane?
The InChIKey is RJYANFYDMCBWFD-GOUYWOOZSA-N. The full InChI is InChI=1S/C23H39BrOSi/c1-17(14-18-11-13-22(2,15-18)25-26(4,5)6)20-9-10-21-19(16-24)8-7-12-23(20,21)3/h11,13,16-18,20-21H,7-10,12,14-15H2,1-6H3/t17-,18-,20-,21?,22+,23+/m1/s1.
What are the key properties of [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane?
[(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane has a molecular weight of 439.55 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 70187226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).