(3R)-5-bromo-3-methylpentan-1-ol

C6H13BrO — CID 139766878

IUPAC(3R)-5-bromo-3-methylpentan-1-ol
SMILESC[C@H](CCO)CCBr
InChIInChI=1S/C6H13BrO/c1-6(2-4-7)3-5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyDHFUGLZCCDRGCH-LURJTMIESA-N
MW181.07 g/mol
LogP1.79
Rot. Bonds4

About (3R)-5-bromo-3-methylpentan-1-ol

(3R)-5-bromo-3-methylpentan-1-ol (PubChem CID 139766878) has the molecular formula C6H13BrO and a molecular weight of 181.07 g/mol. Its IUPAC name is (3R)-5-bromo-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3R)-5-bromo-3-methylpentan-1-ol
PubChem CID139766878
Molecular FormulaC6H13BrO
Molecular Weight181.07 g/mol
Exact Mass180.01
IUPAC Name(3R)-5-bromo-3-methylpentan-1-ol
SMILESC[C@H](CCO)CCBr
InChIInChI=1S/C6H13BrO/c1-6(2-4-7)3-5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyDHFUGLZCCDRGCH-LURJTMIESA-N
XLogP1.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 51.79
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

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CID 139766854
1,7-dibromo-3,5-dimethylheptane
CID 155037332
4-fluoro-3-methylbutan-1-ol
CID 22000521
3-methyldecane-1,10-diol
CID 22596513
3,7-dimethyloctan-1-ol
CID 7792
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
(3R)-1-bromo-3,11-dimethyldodecane
CID 118054379
1-bromo-3,5-dimethylhexane
CID 10867183
carbanide;2-methylbutane-1,4-diol;titanium(2+)
CID 134981469
3,7-dimethyloctan-1-ol;ethanol
CID 175190567

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-methylpentan-1-ol?
The IUPAC name of (3R)-5-bromo-3-methylpentan-1-ol (CID 139766878) is (3R)-5-bromo-3-methylpentan-1-ol.
What is the SMILES notation for (3R)-5-bromo-3-methylpentan-1-ol?
The canonical SMILES for (3R)-5-bromo-3-methylpentan-1-ol is C[C@H](CCO)CCBr.
What is the InChIKey of (3R)-5-bromo-3-methylpentan-1-ol?
The InChIKey is DHFUGLZCCDRGCH-LURJTMIESA-N. The full InChI is InChI=1S/C6H13BrO/c1-6(2-4-7)3-5-8/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3R)-5-bromo-3-methylpentan-1-ol?
(3R)-5-bromo-3-methylpentan-1-ol has a molecular weight of 181.07 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-methylpentan-1-ol is sourced from PubChem (CID 139766878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).