5-bromo-2-methoxypent-1-en-3-ol

C6H11BrO2 — CID 88885346

IUPAC5-bromo-2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)CCBr
InChIInChI=1S/C6H11BrO2/c1-5(9-2)6(8)3-4-7/h6,8H,1,3-4H2,2H3
InChIKeyAUDIFBMRTFOJMW-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.29
Rot. Bonds4

About 5-bromo-2-methoxypent-1-en-3-ol

5-bromo-2-methoxypent-1-en-3-ol (PubChem CID 88885346) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is 5-bromo-2-methoxypent-1-en-3-ol.

Molecular Properties

Compound Name5-bromo-2-methoxypent-1-en-3-ol
PubChem CID88885346
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name5-bromo-2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)CCBr
InChIInChI=1S/C6H11BrO2/c1-5(9-2)6(8)3-4-7/h6,8H,1,3-4H2,2H3
InChIKeyAUDIFBMRTFOJMW-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-L-rhamnal
CID 44543454
4-Methoxyhexa-4,5-dien-3-ol
CID 44719796
4-Bromo-1-prop-1-en-2-yloxybutan-2-ol
CID 123752024
2-Ethenoxypent-1-en-3-ol
CID 141207628
2-Methoxypent-1-en-3-ol
CID 71425947

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxypent-1-en-3-ol?
The IUPAC name of 5-bromo-2-methoxypent-1-en-3-ol (CID 88885346) is 5-bromo-2-methoxypent-1-en-3-ol.
What is the SMILES notation for 5-bromo-2-methoxypent-1-en-3-ol?
The canonical SMILES for 5-bromo-2-methoxypent-1-en-3-ol is C=C(OC)C(O)CCBr.
What is the InChIKey of 5-bromo-2-methoxypent-1-en-3-ol?
The InChIKey is AUDIFBMRTFOJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-5(9-2)6(8)3-4-7/h6,8H,1,3-4H2,2H3.
What are the key properties of 5-bromo-2-methoxypent-1-en-3-ol?
5-bromo-2-methoxypent-1-en-3-ol has a molecular weight of 195.06 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxypent-1-en-3-ol is sourced from PubChem (CID 88885346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).