2-bromo-2-(3,4-dibromocyclohexyl)ethanol

C8H13Br3O — CID 139595322

IUPAC2-bromo-2-(3,4-dibromocyclohexyl)ethanol
SMILESOCC(Br)C1CCC(Br)C(Br)C1
InChIInChI=1S/C8H13Br3O/c9-6-2-1-5(3-7(6)10)8(11)4-12/h5-8,12H,1-4H2
InChIKeyHVLYXALUPRXPEC-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.07
Rot. Bonds2

About 2-bromo-2-(3,4-dibromocyclohexyl)ethanol

2-bromo-2-(3,4-dibromocyclohexyl)ethanol (PubChem CID 139595322) has the molecular formula C8H13Br3O and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-bromo-2-(3,4-dibromocyclohexyl)ethanol.

Molecular Properties

Compound Name2-bromo-2-(3,4-dibromocyclohexyl)ethanol
PubChem CID139595322
Molecular FormulaC8H13Br3O
Molecular Weight364.90 g/mol
Exact Mass361.85
IUPAC Name2-bromo-2-(3,4-dibromocyclohexyl)ethanol
SMILESOCC(Br)C1CCC(Br)C(Br)C1
InChIInChI=1S/C8H13Br3O/c9-6-2-1-5(3-7(6)10)8(11)4-12/h5-8,12H,1-4H2
InChIKeyHVLYXALUPRXPEC-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3,4-dibromocyclohexyl)ethanol?
The IUPAC name of 2-bromo-2-(3,4-dibromocyclohexyl)ethanol (CID 139595322) is 2-bromo-2-(3,4-dibromocyclohexyl)ethanol.
What is the SMILES notation for 2-bromo-2-(3,4-dibromocyclohexyl)ethanol?
The canonical SMILES for 2-bromo-2-(3,4-dibromocyclohexyl)ethanol is OCC(Br)C1CCC(Br)C(Br)C1.
What is the InChIKey of 2-bromo-2-(3,4-dibromocyclohexyl)ethanol?
The InChIKey is HVLYXALUPRXPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br3O/c9-6-2-1-5(3-7(6)10)8(11)4-12/h5-8,12H,1-4H2.
What are the key properties of 2-bromo-2-(3,4-dibromocyclohexyl)ethanol?
2-bromo-2-(3,4-dibromocyclohexyl)ethanol has a molecular weight of 364.90 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(3,4-dibromocyclohexyl)ethanol is sourced from PubChem (CID 139595322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).