(2S)-2-methoxybut-3-enal;yttrium

C5H7O2Y- — CID 135037126

IUPAC(2S)-2-methoxybut-3-enal;yttrium
SMILES[H]/[C-]=C\[C@@H](C=O)OC.[Y]
InChIInChI=1S/C5H7O2.Y/c1-3-5(4-6)7-2;/h1,3-5H,2H3;/q-1;/t5-;/m0./s1
InChIKeyRYLGEOOXPAVFCW-JEDNCBNOSA-N
MW188.02 g/mol
LogP0.19
Rot. Bonds3

About (2S)-2-methoxybut-3-enal;yttrium

(2S)-2-methoxybut-3-enal;yttrium (PubChem CID 135037126) has the molecular formula C5H7O2Y- and a molecular weight of 188.02 g/mol. Its IUPAC name is (2S)-2-methoxybut-3-enal;yttrium.

Molecular Properties

Compound Name(2S)-2-methoxybut-3-enal;yttrium
PubChem CID135037126
Molecular FormulaC5H7O2Y-
Molecular Weight188.02 g/mol
Exact Mass187.95
IUPAC Name(2S)-2-methoxybut-3-enal;yttrium
SMILES[H]/[C-]=C\[C@@H](C=O)OC.[Y]
InChIInChI=1S/C5H7O2.Y/c1-3-5(4-6)7-2;/h1,3-5H,2H3;/q-1;/t5-;/m0./s1
InChIKeyRYLGEOOXPAVFCW-JEDNCBNOSA-N
XLogP0.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methoxybut-3-enal
CID 11194297
2-Prop-2-enoxypropanal
CID 15074887
1-Oxobut-3-en-2-yl acetate
CID 19812396
2-Methoxybut-3-enal
CID 57147295
2-Pent-1-en-3-yloxyacetaldehyde
CID 90250236
2-(4-Methoxybut-3-en-2-yloxy)acetaldehyde
CID 90787173
2-But-3-en-2-yloxyacetaldehyde
CID 91014192
2-Ethoxybut-3-enal
CID 91289454
(2R)-2-methoxy-2-methylbut-3-enal
CID 117635876
2-Methoxy-2-methylbut-3-enal
CID 123409911
2-But-3-en-2-yloxybutanal
CID 123762687
2-Butoxybut-3-enal
CID 140099015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxybut-3-enal;yttrium?
The IUPAC name of (2S)-2-methoxybut-3-enal;yttrium (CID 135037126) is (2S)-2-methoxybut-3-enal;yttrium.
What is the SMILES notation for (2S)-2-methoxybut-3-enal;yttrium?
The canonical SMILES for (2S)-2-methoxybut-3-enal;yttrium is [H]/[C-]=C\[C@@H](C=O)OC.[Y].
What is the InChIKey of (2S)-2-methoxybut-3-enal;yttrium?
The InChIKey is RYLGEOOXPAVFCW-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H7O2.Y/c1-3-5(4-6)7-2;/h1,3-5H,2H3;/q-1;/t5-;/m0./s1.
What are the key properties of (2S)-2-methoxybut-3-enal;yttrium?
(2S)-2-methoxybut-3-enal;yttrium has a molecular weight of 188.02 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxybut-3-enal;yttrium is sourced from PubChem (CID 135037126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).