[(Z)-but-1-enoxy]benzene;ethane

C12H18O — CID 143220778

IUPAC[(Z)-but-1-enoxy]benzene;ethane
SMILESCC.CC/C=C\Oc1ccccc1
InChIInChI=1S/C10H12O.C2H6/c1-2-3-9-11-10-7-5-4-6-8-10;1-2/h3-9H,2H2,1H3;1-2H3/b9-3-;
InChIKeyYZFOJPVSDNDFOG-WPUSIDMCSA-N
MW178.27 g/mol
LogP4.02
Rot. Bonds3

About [(Z)-but-1-enoxy]benzene;ethane

[(Z)-but-1-enoxy]benzene;ethane (PubChem CID 143220778) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is [(Z)-but-1-enoxy]benzene;ethane.

Molecular Properties

Compound Name[(Z)-but-1-enoxy]benzene;ethane
PubChem CID143220778
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name[(Z)-but-1-enoxy]benzene;ethane
SMILESCC.CC/C=C\Oc1ccccc1
InChIInChI=1S/C10H12O.C2H6/c1-2-3-9-11-10-7-5-4-6-8-10;1-2/h3-9H,2H2,1H3;1-2H3/b9-3-;
InChIKeyYZFOJPVSDNDFOG-WPUSIDMCSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-but-1-enoxy]benzene;ethane?
The IUPAC name of [(Z)-but-1-enoxy]benzene;ethane (CID 143220778) is [(Z)-but-1-enoxy]benzene;ethane.
What is the SMILES notation for [(Z)-but-1-enoxy]benzene;ethane?
The canonical SMILES for [(Z)-but-1-enoxy]benzene;ethane is CC.CC/C=C\Oc1ccccc1.
What is the InChIKey of [(Z)-but-1-enoxy]benzene;ethane?
The InChIKey is YZFOJPVSDNDFOG-WPUSIDMCSA-N. The full InChI is InChI=1S/C10H12O.C2H6/c1-2-3-9-11-10-7-5-4-6-8-10;1-2/h3-9H,2H2,1H3;1-2H3/b9-3-;.
What are the key properties of [(Z)-but-1-enoxy]benzene;ethane?
[(Z)-but-1-enoxy]benzene;ethane has a molecular weight of 178.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-1-enoxy]benzene;ethane is sourced from PubChem (CID 143220778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).