2-bromo-2-prop-2-enylpent-4-enal

C8H11BrO — CID 174833072

IUPAC2-bromo-2-prop-2-enylpent-4-enal
SMILESC=CCC(Br)(C=O)CC=C
InChIInChI=1S/C8H11BrO/c1-3-5-8(9,7-10)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyUVKMDKFRLSGRBE-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.47
Rot. Bonds5

About 2-bromo-2-prop-2-enylpent-4-enal

2-bromo-2-prop-2-enylpent-4-enal (PubChem CID 174833072) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is 2-bromo-2-prop-2-enylpent-4-enal.

Molecular Properties

Compound Name2-bromo-2-prop-2-enylpent-4-enal
PubChem CID174833072
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name2-bromo-2-prop-2-enylpent-4-enal
SMILESC=CCC(Br)(C=O)CC=C
InChIInChI=1S/C8H11BrO/c1-3-5-8(9,7-10)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyUVKMDKFRLSGRBE-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-prop-2-enylpent-4-enal?
The IUPAC name of 2-bromo-2-prop-2-enylpent-4-enal (CID 174833072) is 2-bromo-2-prop-2-enylpent-4-enal.
What is the SMILES notation for 2-bromo-2-prop-2-enylpent-4-enal?
The canonical SMILES for 2-bromo-2-prop-2-enylpent-4-enal is C=CCC(Br)(C=O)CC=C.
What is the InChIKey of 2-bromo-2-prop-2-enylpent-4-enal?
The InChIKey is UVKMDKFRLSGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c1-3-5-8(9,7-10)6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-bromo-2-prop-2-enylpent-4-enal?
2-bromo-2-prop-2-enylpent-4-enal has a molecular weight of 203.08 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-prop-2-enylpent-4-enal is sourced from PubChem (CID 174833072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).