bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane

C26H35BrO2P2Si — CID 91177193

IUPACbromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
SMILESCC.COc1ccc(CP(P)Br)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H29BrO2P2Si.C2H6/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-23-17-19(18-29(25)28)15-16-22(23)26-4;1-2/h5-17H,18,28H2,1-4H3;1-2H3
InChIKeyGOBYJVFBRUFZOY-UHFFFAOYSA-N
MW549.50 g/mol
LogP7.74
Rot. Bonds7

About bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane

bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane (PubChem CID 91177193) has the molecular formula C26H35BrO2P2Si and a molecular weight of 549.50 g/mol. Its IUPAC name is bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane.

Molecular Properties

Compound Namebromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
PubChem CID91177193
Molecular FormulaC26H35BrO2P2Si
Molecular Weight549.50 g/mol
Exact Mass548.11
IUPAC Namebromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
SMILESCC.COc1ccc(CP(P)Br)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H29BrO2P2Si.C2H6/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-23-17-19(18-29(25)28)15-16-22(23)26-4;1-2/h5-17H,18,28H2,1-4H3;1-2H3
InChIKeyGOBYJVFBRUFZOY-UHFFFAOYSA-N
XLogP7.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.50
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224
[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
CID 11635755
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane
CID 158729815
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane
CID 57431359
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
N-[2-amino-5-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]formamide
CID 58622914
1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone
CID 10555524
[4-(9-bromonon-1-ynyl)-2,6-dimethoxyphenoxy]-tert-butyl-diphenylsilane
CID 22164963
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093

Frequently Asked Questions

What is the IUPAC name of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane?
The IUPAC name of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane (CID 91177193) is bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane.
What is the SMILES notation for bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane?
The canonical SMILES for bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane is CC.COc1ccc(CP(P)Br)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane?
The InChIKey is GOBYJVFBRUFZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrO2P2Si.C2H6/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-23-17-19(18-29(25)28)15-16-22(23)26-4;1-2/h5-17H,18,28H2,1-4H3;1-2H3.
What are the key properties of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane?
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane has a molecular weight of 549.50 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane is sourced from PubChem (CID 91177193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).