(1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol

C6H12Br2O4 — CID 97049641

IUPAC(1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol
SMILESC[C@](O)(Br)OCCO[C@@](C)(O)Br
InChIInChI=1S/C6H12Br2O4/c1-5(7,9)11-3-4-12-6(2,8)10/h9-10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyKSYMPEMWKAIQMG-PHDIDXHHSA-N
MW307.97 g/mol
LogP1.14
Rot. Bonds5

About (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol

(1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol (PubChem CID 97049641) has the molecular formula C6H12Br2O4 and a molecular weight of 307.97 g/mol. Its IUPAC name is (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name(1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol
PubChem CID97049641
Molecular FormulaC6H12Br2O4
Molecular Weight307.97 g/mol
Exact Mass305.91
IUPAC Name(1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol
SMILESC[C@](O)(Br)OCCO[C@@](C)(O)Br
InChIInChI=1S/C6H12Br2O4/c1-5(7,9)11-3-4-12-6(2,8)10/h9-10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyKSYMPEMWKAIQMG-PHDIDXHHSA-N
XLogP1.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-2,3-bis(2-methoxyethoxy)butane
CID 140513966
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 123858699
1,2,2-tribromopropane-1,1-diol
CID 118275935
1-amino-1-bromoethanol
CID 158110209
2-(1-bromo-1-ethoxyethoxy)ethanol
CID 88660199
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
3-(bromomethyl)-1-[(2-methylpropan-2-yl)oxy]pentane
CID 112592442
2-bromo-2-butoxy-1,1,2-trifluoroethanol
CID 173107066
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638

Frequently Asked Questions

What is the IUPAC name of (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol?
The IUPAC name of (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol (CID 97049641) is (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol.
What is the SMILES notation for (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol?
The canonical SMILES for (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol is C[C@](O)(Br)OCCO[C@@](C)(O)Br.
What is the InChIKey of (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol?
The InChIKey is KSYMPEMWKAIQMG-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12Br2O4/c1-5(7,9)11-3-4-12-6(2,8)10/h9-10H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol?
(1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol has a molecular weight of 307.97 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol is sourced from PubChem (CID 97049641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).