[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene

C13H16O — CID 10726289

IUPAC[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
SMILESCC/C=C/OC/C=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h3-11H,2,12H2,1H3/b10-7+,11-3+
InChIKeyGOEHRRAPKQOXNV-LPLLPVNESA-N
MW188.27 g/mol
LogP3.64
Rot. Bonds5

About [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene

[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene (PubChem CID 10726289) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
PubChem CID10726289
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
SMILESCC/C=C/OC/C=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h3-11H,2,12H2,1H3/b10-7+,11-3+
InChIKeyGOEHRRAPKQOXNV-LPLLPVNESA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;but-1-enylbenzene
CID 157481332
ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
CID 14940603
but-1-enylbenzene;phenoxybenzene
CID 175609674
methyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
CID 170900338
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
[(E)-3-benzhydryloxyprop-1-enyl]benzene
CID 11197353
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
3-henicosoxyprop-1-enylbenzene
CID 139660432

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene (CID 10726289) is [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene is CC/C=C/OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene?
The InChIKey is GOEHRRAPKQOXNV-LPLLPVNESA-N. The full InChI is InChI=1S/C13H16O/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h3-11H,2,12H2,1H3/b10-7+,11-3+.
What are the key properties of [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene?
[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene has a molecular weight of 188.27 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene is sourced from PubChem (CID 10726289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).