tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane

C26H38Br2O2Si2 — CID 67424721

IUPACtert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H38Br2O2Si2/c1-25(2,3)31(7,8)29-23-21-15-17(27)11-13-19(21)20-14-12-18(28)16-22(20)24(23)30-32(9,10)26(4,5)6/h11-16,23-24H,1-10H3/t23-,24-/m0/s1
InChIKeyRJZWPKLQDRJPAQ-ZEQRLZLVSA-N
MW598.57 g/mol
LogP10.02
Rot. Bonds4

About tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane

tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane (PubChem CID 67424721) has the molecular formula C26H38Br2O2Si2 and a molecular weight of 598.57 g/mol. Its IUPAC name is tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
PubChem CID67424721
Molecular FormulaC26H38Br2O2Si2
Molecular Weight598.57 g/mol
Exact Mass596.08
IUPAC Nametert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H38Br2O2Si2/c1-25(2,3)31(7,8)29-23-21-15-17(27)11-13-19(21)20-14-12-18(28)16-22(20)24(23)30-32(9,10)26(4,5)6/h11-16,23-24H,1-10H3/t23-,24-/m0/s1
InChIKeyRJZWPKLQDRJPAQ-ZEQRLZLVSA-N
XLogP10.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.57
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane
CID 67424912
[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane
CID 125117332
(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
CID 23377895
[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane
CID 168964353
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
[(1R,2R,4R,5R)-5-(4-bromobenzoyl)oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexyl] 4-bromobenzoate
CID 139115330
2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 67039714
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol
CID 11060812

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane (CID 67424721) is tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane?
The InChIKey is RJZWPKLQDRJPAQ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H38Br2O2Si2/c1-25(2,3)31(7,8)29-23-21-15-17(27)11-13-19(21)20-14-12-18(28)16-22(20)24(23)30-32(9,10)26(4,5)6/h11-16,23-24H,1-10H3/t23-,24-/m0/s1.
What are the key properties of tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane?
tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane has a molecular weight of 598.57 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane is sourced from PubChem (CID 67424721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).