6-bromo-2,5-dimethylhexan-1-ol

C8H17BrO — CID 21319862

IUPAC6-bromo-2,5-dimethylhexan-1-ol
SMILESCC(CO)CCC(C)CBr
InChIInChI=1S/C8H17BrO/c1-7(5-9)3-4-8(2)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyLHFUDSBJAVQZHJ-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.43
Rot. Bonds5

About 6-bromo-2,5-dimethylhexan-1-ol

6-bromo-2,5-dimethylhexan-1-ol (PubChem CID 21319862) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is 6-bromo-2,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name6-bromo-2,5-dimethylhexan-1-ol
PubChem CID21319862
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name6-bromo-2,5-dimethylhexan-1-ol
SMILESCC(CO)CCC(C)CBr
InChIInChI=1S/C8H17BrO/c1-7(5-9)3-4-8(2)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyLHFUDSBJAVQZHJ-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylpropane-1,3-diol
CID 87127502
1,8-dibromo-2,7-dimethyloctane
CID 170903621
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
(2R,5R)-5-amino-2-methylhexan-1-ol
CID 167005595
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
5-bromo-2-methylpentane-1,4-diol
CID 57216025
(2R)-1,5-dibromo-2-methylpentane
CID 10243526
carbanide;2-methylbutane-1,4-diol;titanium(2+)
CID 134981469
azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
2-methylhexan-1-ol
CID 159157237

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,5-dimethylhexan-1-ol?
The IUPAC name of 6-bromo-2,5-dimethylhexan-1-ol (CID 21319862) is 6-bromo-2,5-dimethylhexan-1-ol.
What is the SMILES notation for 6-bromo-2,5-dimethylhexan-1-ol?
The canonical SMILES for 6-bromo-2,5-dimethylhexan-1-ol is CC(CO)CCC(C)CBr.
What is the InChIKey of 6-bromo-2,5-dimethylhexan-1-ol?
The InChIKey is LHFUDSBJAVQZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO/c1-7(5-9)3-4-8(2)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 6-bromo-2,5-dimethylhexan-1-ol?
6-bromo-2,5-dimethylhexan-1-ol has a molecular weight of 209.13 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,5-dimethylhexan-1-ol is sourced from PubChem (CID 21319862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).