(Z)-4-deuterio-1-methoxybut-1-en-3-yne

C5H6O — CID 15620947

IUPAC(Z)-4-deuterio-1-methoxybut-1-en-3-yne
SMILES[2H]C#C/C=C\OC
InChIInChI=1S/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3/b5-4-/i1D
InChIKeyVTWTUVLDYHBQTC-HODLDLJFSA-N
MW83.11 g/mol
LogP0.78
Rot. Bonds1

About (Z)-4-deuterio-1-methoxybut-1-en-3-yne

(Z)-4-deuterio-1-methoxybut-1-en-3-yne (PubChem CID 15620947) has the molecular formula C5H6O and a molecular weight of 83.11 g/mol. Its IUPAC name is (Z)-4-deuterio-1-methoxybut-1-en-3-yne.

Molecular Properties

Compound Name(Z)-4-deuterio-1-methoxybut-1-en-3-yne
PubChem CID15620947
Molecular FormulaC5H6O
Molecular Weight83.11 g/mol
Exact Mass83.05
IUPAC Name(Z)-4-deuterio-1-methoxybut-1-en-3-yne
SMILES[2H]C#C/C=C\OC
InChIInChI=1S/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3/b5-4-/i1D
InChIKeyVTWTUVLDYHBQTC-HODLDLJFSA-N
XLogP0.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.11
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 2723755
2-methoxyethenamine
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benzene;1-methoxyprop-1-ene
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(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
[(Z)-4-methoxybut-3-en-1-ynyl]-tris[(2-methylpropan-2-yl)oxy]silane
CID 101046565
(E)-1-iodo-2-methoxyethene
CID 140517862
1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene
CID 10035380
(Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one
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(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene
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CID 160966775

Frequently Asked Questions

What is the IUPAC name of (Z)-4-deuterio-1-methoxybut-1-en-3-yne?
The IUPAC name of (Z)-4-deuterio-1-methoxybut-1-en-3-yne (CID 15620947) is (Z)-4-deuterio-1-methoxybut-1-en-3-yne.
What is the SMILES notation for (Z)-4-deuterio-1-methoxybut-1-en-3-yne?
The canonical SMILES for (Z)-4-deuterio-1-methoxybut-1-en-3-yne is [2H]C#C/C=C\OC.
What is the InChIKey of (Z)-4-deuterio-1-methoxybut-1-en-3-yne?
The InChIKey is VTWTUVLDYHBQTC-HODLDLJFSA-N. The full InChI is InChI=1S/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3/b5-4-/i1D.
What are the key properties of (Z)-4-deuterio-1-methoxybut-1-en-3-yne?
(Z)-4-deuterio-1-methoxybut-1-en-3-yne has a molecular weight of 83.11 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-deuterio-1-methoxybut-1-en-3-yne is sourced from PubChem (CID 15620947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).