(E,2R)-4-iodo-2-methoxypent-3-enal

C6H9IO2 — CID 101491576

IUPAC(E,2R)-4-iodo-2-methoxypent-3-enal
SMILESCO[C@@H](C=O)/C=C(\C)I
InChIInChI=1S/C6H9IO2/c1-5(7)3-6(4-8)9-2/h3-4,6H,1-2H3/b5-3+/t6-/m1/s1
InChIKeyXHPPSAVERBXWAR-MXTDHUQFSA-N
MW240.04 g/mol
LogP1.54
Rot. Bonds3

About (E,2R)-4-iodo-2-methoxypent-3-enal

(E,2R)-4-iodo-2-methoxypent-3-enal (PubChem CID 101491576) has the molecular formula C6H9IO2 and a molecular weight of 240.04 g/mol. Its IUPAC name is (E,2R)-4-iodo-2-methoxypent-3-enal.

Molecular Properties

Compound Name(E,2R)-4-iodo-2-methoxypent-3-enal
PubChem CID101491576
Molecular FormulaC6H9IO2
Molecular Weight240.04 g/mol
Exact Mass239.96
IUPAC Name(E,2R)-4-iodo-2-methoxypent-3-enal
SMILESCO[C@@H](C=O)/C=C(\C)I
InChIInChI=1S/C6H9IO2/c1-5(7)3-6(4-8)9-2/h3-4,6H,1-2H3/b5-3+/t6-/m1/s1
InChIKeyXHPPSAVERBXWAR-MXTDHUQFSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-diiodohexa-2,4-diene
CID 71319210
(E)-4,4-dimethoxy-3-methylbut-2-enal
CID 11829567
(Z,2S)-4-iodopent-3-en-2-ol
CID 135084102
(E)-5-methoxy-3-methylhept-3-enal
CID 87291849
2-methoxy-4-methylpent-4-enal
CID 15128224
1,1-dimethoxyethane;formic acid
CID 174931321
(E)-5-methoxy-3-methyloct-3-enal
CID 87291411
5,5-dimethoxy-3-methylpent-3-en-2-one
CID 154128160
formic acid;1-methoxyethanamine
CID 87579928
3,4-dimethoxyhexane-2,5-dione;molecular iodine
CID 162151114
(2R,3R,4S)-3,4-dihydroxy-2-methoxy-5-sulfanylpentanal
CID 154998367
(2E,4E,6E)-8,8-dimethoxy-2,7-dimethylocta-2,4,6-trienal
CID 59086601

Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-iodo-2-methoxypent-3-enal?
The IUPAC name of (E,2R)-4-iodo-2-methoxypent-3-enal (CID 101491576) is (E,2R)-4-iodo-2-methoxypent-3-enal.
What is the SMILES notation for (E,2R)-4-iodo-2-methoxypent-3-enal?
The canonical SMILES for (E,2R)-4-iodo-2-methoxypent-3-enal is CO[C@@H](C=O)/C=C(\C)I.
What is the InChIKey of (E,2R)-4-iodo-2-methoxypent-3-enal?
The InChIKey is XHPPSAVERBXWAR-MXTDHUQFSA-N. The full InChI is InChI=1S/C6H9IO2/c1-5(7)3-6(4-8)9-2/h3-4,6H,1-2H3/b5-3+/t6-/m1/s1.
What are the key properties of (E,2R)-4-iodo-2-methoxypent-3-enal?
(E,2R)-4-iodo-2-methoxypent-3-enal has a molecular weight of 240.04 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-iodo-2-methoxypent-3-enal is sourced from PubChem (CID 101491576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).