[(Z)-4-methoxybut-3-en-1-ynyl]benzene

C11H10O — CID 10397080

IUPAC[(Z)-4-methoxybut-3-en-1-ynyl]benzene
SMILESCO/C=C\C#Cc1ccccc1
InChIInChI=1S/C11H10O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,1H3/b10-6-
InChIKeyXGWGPYAWEXYGRI-POHAHGRESA-N
MW158.20 g/mol
LogP2.20
Rot. Bonds1

About [(Z)-4-methoxybut-3-en-1-ynyl]benzene

[(Z)-4-methoxybut-3-en-1-ynyl]benzene (PubChem CID 10397080) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is [(Z)-4-methoxybut-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name[(Z)-4-methoxybut-3-en-1-ynyl]benzene
PubChem CID10397080
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name[(Z)-4-methoxybut-3-en-1-ynyl]benzene
SMILESCO/C=C\C#Cc1ccccc1
InChIInChI=1S/C11H10O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,1H3/b10-6-
InChIKeyXGWGPYAWEXYGRI-POHAHGRESA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methoxybut-3-en-1-ynyl]benzene?
The IUPAC name of [(Z)-4-methoxybut-3-en-1-ynyl]benzene (CID 10397080) is [(Z)-4-methoxybut-3-en-1-ynyl]benzene.
What is the SMILES notation for [(Z)-4-methoxybut-3-en-1-ynyl]benzene?
The canonical SMILES for [(Z)-4-methoxybut-3-en-1-ynyl]benzene is CO/C=C\C#Cc1ccccc1.
What is the InChIKey of [(Z)-4-methoxybut-3-en-1-ynyl]benzene?
The InChIKey is XGWGPYAWEXYGRI-POHAHGRESA-N. The full InChI is InChI=1S/C11H10O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,1H3/b10-6-.
What are the key properties of [(Z)-4-methoxybut-3-en-1-ynyl]benzene?
[(Z)-4-methoxybut-3-en-1-ynyl]benzene has a molecular weight of 158.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methoxybut-3-en-1-ynyl]benzene is sourced from PubChem (CID 10397080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).