5-bromo-3-methylpenta-2,4-dien-1-ol

C6H9BrO — CID 138114565

IUPAC5-bromo-3-methylpenta-2,4-dien-1-ol
SMILESCC(C=CBr)=CCO
InChIInChI=1S/C6H9BrO/c1-6(2-4-7)3-5-8/h2-4,8H,5H2,1H3
InChIKeyQQOSORLTDMXTRU-UHFFFAOYSA-N
MW177.04 g/mol
LogP1.83
Rot. Bonds2

About 5-bromo-3-methylpenta-2,4-dien-1-ol

5-bromo-3-methylpenta-2,4-dien-1-ol (PubChem CID 138114565) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is 5-bromo-3-methylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name5-bromo-3-methylpenta-2,4-dien-1-ol
PubChem CID138114565
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Name5-bromo-3-methylpenta-2,4-dien-1-ol
SMILESCC(C=CBr)=CCO
InChIInChI=1S/C6H9BrO/c1-6(2-4-7)3-5-8/h2-4,8H,5H2,1H3
InChIKeyQQOSORLTDMXTRU-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylpenta-2,4-dien-1-ol?
The IUPAC name of 5-bromo-3-methylpenta-2,4-dien-1-ol (CID 138114565) is 5-bromo-3-methylpenta-2,4-dien-1-ol.
What is the SMILES notation for 5-bromo-3-methylpenta-2,4-dien-1-ol?
The canonical SMILES for 5-bromo-3-methylpenta-2,4-dien-1-ol is CC(C=CBr)=CCO.
What is the InChIKey of 5-bromo-3-methylpenta-2,4-dien-1-ol?
The InChIKey is QQOSORLTDMXTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO/c1-6(2-4-7)3-5-8/h2-4,8H,5H2,1H3.
What are the key properties of 5-bromo-3-methylpenta-2,4-dien-1-ol?
5-bromo-3-methylpenta-2,4-dien-1-ol has a molecular weight of 177.04 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylpenta-2,4-dien-1-ol is sourced from PubChem (CID 138114565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).