2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane

C32H49BrO4Si — CID 159295209

IUPAC2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane
SMILESBrc1ccc(CCOC2CCCCO2)cc1.CC(C)[SiH](c1ccc(CCOC2CCCCO2)cc1)C(C)C
InChIInChI=1S/C19H32O2Si.C13H17BrO2/c1-15(2)22(16(3)4)18-10-8-17(9-11-18)12-14-21-19-7-5-6-13-20-19;14-12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h8-11,15-16,19,22H,5-7,12-14H2,1-4H3;4-7,13H,1-3,8-10H2
InChIKeyLAPZHXTUFWGFHB-UHFFFAOYSA-N
MW605.73 g/mol
LogP7.56
Rot. Bonds11

About 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane

2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane (PubChem CID 159295209) has the molecular formula C32H49BrO4Si and a molecular weight of 605.73 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane
PubChem CID159295209
Molecular FormulaC32H49BrO4Si
Molecular Weight605.73 g/mol
Exact Mass604.26
IUPAC Name2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane
SMILESBrc1ccc(CCOC2CCCCO2)cc1.CC(C)[SiH](c1ccc(CCOC2CCCCO2)cc1)C(C)C
InChIInChI=1S/C19H32O2Si.C13H17BrO2/c1-15(2)22(16(3)4)18-10-8-17(9-11-18)12-14-21-19-7-5-6-13-20-19;14-12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h8-11,15-16,19,22H,5-7,12-14H2,1-4H3;4-7,13H,1-3,8-10H2
InChIKeyLAPZHXTUFWGFHB-UHFFFAOYSA-N
XLogP7.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.73
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
CID 157088552
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
CID 69449644
[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
CID 18999475
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
2-[5-(4-bromophenyl)pentoxy]oxane;N-(methoxymethoxymethyl)formamide;2-methoxy-2-methylpropane
CID 143349449
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
CID 59665437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane?
The IUPAC name of 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane (CID 159295209) is 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane?
The canonical SMILES for 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane is Brc1ccc(CCOC2CCCCO2)cc1.CC(C)[SiH](c1ccc(CCOC2CCCCO2)cc1)C(C)C.
What is the InChIKey of 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane?
The InChIKey is LAPZHXTUFWGFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si.C13H17BrO2/c1-15(2)22(16(3)4)18-10-8-17(9-11-18)12-14-21-19-7-5-6-13-20-19;14-12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h8-11,15-16,19,22H,5-7,12-14H2,1-4H3;4-7,13H,1-3,8-10H2.
What are the key properties of 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane?
2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane has a molecular weight of 605.73 g/mol, XLogP of 7.56, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane is sourced from PubChem (CID 159295209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).