(E,2R)-5-bromo-2-methoxypent-4-enal

C6H9BrO2 — CID 131236426

IUPAC(E,2R)-5-bromo-2-methoxypent-4-enal
SMILESCO[C@@H](C=O)C/C=C/Br
InChIInChI=1S/C6H9BrO2/c1-9-6(5-8)3-2-4-7/h2,4-6H,3H2,1H3/b4-2+/t6-/m1/s1
InChIKeyRCKGLTDDNCIULV-QMVXTRQFSA-N
MW193.04 g/mol
LogP1.50
Rot. Bonds4

About (E,2R)-5-bromo-2-methoxypent-4-enal

(E,2R)-5-bromo-2-methoxypent-4-enal (PubChem CID 131236426) has the molecular formula C6H9BrO2 and a molecular weight of 193.04 g/mol. Its IUPAC name is (E,2R)-5-bromo-2-methoxypent-4-enal.

Molecular Properties

Compound Name(E,2R)-5-bromo-2-methoxypent-4-enal
PubChem CID131236426
Molecular FormulaC6H9BrO2
Molecular Weight193.04 g/mol
Exact Mass191.98
IUPAC Name(E,2R)-5-bromo-2-methoxypent-4-enal
SMILESCO[C@@H](C=O)C/C=C/Br
InChIInChI=1S/C6H9BrO2/c1-9-6(5-8)3-2-4-7/h2,4-6H,3H2,1H3/b4-2+/t6-/m1/s1
InChIKeyRCKGLTDDNCIULV-QMVXTRQFSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,3-dimethoxypropanal
CID 12962856
(2R)-2,3-dimethoxypropanal
CID 12962855
2-methoxy-4,4-dimethylpentanal
CID 58639918
2-methoxy-3-trichlorostannylpropanal
CID 88695235
2-methoxy-4-methylpent-4-enal
CID 15128224
2-methoxy-4-(methylamino)butanal
CID 178006352
5-methoxy-2-methylhept-3-enal
CID 91013890
5-methoxy-6-methylhept-2-enal
CID 91416710
3-(1-methoxyethoxy)pentanedial
CID 18924490
(3S)-3,4-dimethoxybutanal
CID 11535563
(5-methyl-1-oxohexan-2-yl) hypochlorite
CID 87742666
3-(2-hydroxyphenyl)-2-methoxypropanal
CID 105438622

Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-bromo-2-methoxypent-4-enal?
The IUPAC name of (E,2R)-5-bromo-2-methoxypent-4-enal (CID 131236426) is (E,2R)-5-bromo-2-methoxypent-4-enal.
What is the SMILES notation for (E,2R)-5-bromo-2-methoxypent-4-enal?
The canonical SMILES for (E,2R)-5-bromo-2-methoxypent-4-enal is CO[C@@H](C=O)C/C=C/Br.
What is the InChIKey of (E,2R)-5-bromo-2-methoxypent-4-enal?
The InChIKey is RCKGLTDDNCIULV-QMVXTRQFSA-N. The full InChI is InChI=1S/C6H9BrO2/c1-9-6(5-8)3-2-4-7/h2,4-6H,3H2,1H3/b4-2+/t6-/m1/s1.
What are the key properties of (E,2R)-5-bromo-2-methoxypent-4-enal?
(E,2R)-5-bromo-2-methoxypent-4-enal has a molecular weight of 193.04 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-bromo-2-methoxypent-4-enal is sourced from PubChem (CID 131236426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).