[(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane

C21H35BrOSi — CID 134835260

IUPAC[(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@@]12C=CC(=CBr)CC2
InChIInChI=1S/C21H35BrOSi/c1-16-13-18(23-24(7,8)19(2,3)4)14-20(5,6)21(16)11-9-17(15-22)10-12-21/h9,11,13,15,18H,10,12,14H2,1-8H3/t18?,21-/m1/s1
InChIKeyIXUBDPOEDGLTHD-BDPMCISCSA-N
MW411.50 g/mol
LogP7.37
Rot. Bonds2

About [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane

[(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134835260) has the molecular formula C21H35BrOSi and a molecular weight of 411.50 g/mol. Its IUPAC name is [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134835260
Molecular FormulaC21H35BrOSi
Molecular Weight411.50 g/mol
Exact Mass410.16
IUPAC Name[(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@@]12C=CC(=CBr)CC2
InChIInChI=1S/C21H35BrOSi/c1-16-13-18(23-24(7,8)19(2,3)4)14-20(5,6)21(16)11-9-17(15-22)10-12-21/h9,11,13,15,18H,10,12,14H2,1-8H3/t18?,21-/m1/s1
InChIKeyIXUBDPOEDGLTHD-BDPMCISCSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.37
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

[(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane
CID 11092087
[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 150996593
[(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane
CID 10496686
triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane
CID 10884235
tert-butyl-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 21591421
tert-butyl-dimethyl-[(1R)-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-yl]oxysilane
CID 23258409
tert-butyl-dimethyl-[(1R)-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-yl]oxysilane
CID 23258410
tert-butyl-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 23258413
tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane
CID 44521640
tert-butyl-[3-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 56851269
[(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane
CID 101025341
[(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 101050735

Frequently Asked Questions

What is the IUPAC name of [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane (CID 134835260) is [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane is CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)[C@@]12C=CC(=CBr)CC2.
What is the InChIKey of [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IXUBDPOEDGLTHD-BDPMCISCSA-N. The full InChI is InChI=1S/C21H35BrOSi/c1-16-13-18(23-24(7,8)19(2,3)4)14-20(5,6)21(16)11-9-17(15-22)10-12-21/h9,11,13,15,18H,10,12,14H2,1-8H3/t18?,21-/m1/s1.
What are the key properties of [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane?
[(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 411.50 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134835260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).