[(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane

C34H62BrFO3Si — CID 163259960

IUPAC[(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COCc1cc(F)cc(Br)c1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H62BrFO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-37-28-33(39-40(5,6)34(2,3)4)29-38-27-30-24-31(35)26-32(36)25-30/h24-26,33H,7-23,27-29H2,1-6H3/t33-/m1/s1
InChIKeyPRHGMVWKCDGHRJ-MGBGTMOVSA-N
MW645.86 g/mol
LogP11.77
Rot. Bonds25

About [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane

[(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 163259960) has the molecular formula C34H62BrFO3Si and a molecular weight of 645.86 g/mol. Its IUPAC name is [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID163259960
Molecular FormulaC34H62BrFO3Si
Molecular Weight645.86 g/mol
Exact Mass644.36
IUPAC Name[(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COCc1cc(F)cc(Br)c1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H62BrFO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-37-28-33(39-40(5,6)34(2,3)4)29-38-27-30-24-31(35)26-32(36)25-30/h24-26,33H,7-23,27-29H2,1-6H3/t33-/m1/s1
InChIKeyPRHGMVWKCDGHRJ-MGBGTMOVSA-N
XLogP11.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.86
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(R)-[(2S,3R)-3-(5-bromo-2-fluorophenyl)oxiran-2-yl]-(4-methylphenyl)methoxy]-tert-butyl-dimethylsilane
CID 138977710
1-(3-Bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
CID 20785308
[2-(3-Bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
CID 20785396
2-Bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene
CID 20785418
4-Bromo-1-fluoro-2-((2-methoxyethoxy)methyl)benzene
CID 21196021
2-[[(1R)-1-(2-bromo-3-fluorophenyl)butoxy]methyl]oxirane
CID 58572408
2-[[(1R)-1-(2-bromo-5-fluorophenyl)butoxy]methyl]oxirane
CID 58572469
(2R)-2-[[(1R)-1-(2-bromo-5-fluorophenyl)butoxy]methyl]oxirane
CID 58580993
(2R)-2-[[(1R)-1-(2-bromo-3-fluorophenyl)butoxy]methyl]oxirane
CID 58581087
[(3-Bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane
CID 58834794
1-(5-Bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane
CID 59295861
[(1S)-1-(3-bromo-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane
CID 60003820

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane (CID 163259960) is [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane is CCCCCCCCCCCCCCCCCCOC[C@H](COCc1cc(F)cc(Br)c1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is PRHGMVWKCDGHRJ-MGBGTMOVSA-N. The full InChI is InChI=1S/C34H62BrFO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-37-28-33(39-40(5,6)34(2,3)4)29-38-27-30-24-31(35)26-32(36)25-30/h24-26,33H,7-23,27-29H2,1-6H3/t33-/m1/s1.
What are the key properties of [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 645.86 g/mol, XLogP of 11.77, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 163259960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).