5-bromo-2-methylpent-2-en-1-ol

C6H11BrO — CID 54337181

IUPAC5-bromo-2-methylpent-2-en-1-ol
SMILESCC(=CCCBr)CO
InChIInChI=1S/C6H11BrO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3
InChIKeyTWHMANUZTHWCTJ-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.71
Rot. Bonds3

About 5-bromo-2-methylpent-2-en-1-ol

5-bromo-2-methylpent-2-en-1-ol (PubChem CID 54337181) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is 5-bromo-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name5-bromo-2-methylpent-2-en-1-ol
PubChem CID54337181
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name5-bromo-2-methylpent-2-en-1-ol
SMILESCC(=CCCBr)CO
InChIInChI=1S/C6H11BrO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3
InChIKeyTWHMANUZTHWCTJ-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-bromo-2-methylpent-2-en-1-ol
CID 15258521
(E)-5-chloro-2-methylpent-2-en-1-ol
CID 11094667
(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol
CID 11822357
2-methylocta-2,6-diene-1,8-diol
CID 57284516
(E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene
CID 11586609
(4E)-7-bromo-2,4-dimethylhepta-2,4-diene
CID 122235653
4-chloro-2-methylbut-2-en-1-ol
CID 71386874
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466
5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol
CID 145233520
(E)-2,5,5-trimethylhex-2-en-1-ol
CID 12603028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpent-2-en-1-ol?
The IUPAC name of 5-bromo-2-methylpent-2-en-1-ol (CID 54337181) is 5-bromo-2-methylpent-2-en-1-ol.
What is the SMILES notation for 5-bromo-2-methylpent-2-en-1-ol?
The canonical SMILES for 5-bromo-2-methylpent-2-en-1-ol is CC(=CCCBr)CO.
What is the InChIKey of 5-bromo-2-methylpent-2-en-1-ol?
The InChIKey is TWHMANUZTHWCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3.
What are the key properties of 5-bromo-2-methylpent-2-en-1-ol?
5-bromo-2-methylpent-2-en-1-ol has a molecular weight of 179.06 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpent-2-en-1-ol is sourced from PubChem (CID 54337181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).