1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene

C15H20O — CID 155674731

IUPAC1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
SMILESCC/C=C\CCOC=C(C)c1ccccc1
InChIInChI=1S/C15H20O/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h4-8,10-11,13H,3,9,12H2,1-2H3/b5-4-,14-13?
InChIKeyJMZUPIRPVXKCNH-JFOHSBFPSA-N
MW216.32 g/mol
LogP4.42
Rot. Bonds6

About 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene

1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene (PubChem CID 155674731) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
PubChem CID155674731
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
SMILESCC/C=C\CCOC=C(C)c1ccccc1
InChIInChI=1S/C15H20O/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h4-8,10-11,13H,3,9,12H2,1-2H3/b5-4-,14-13?
InChIKeyJMZUPIRPVXKCNH-JFOHSBFPSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.42
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-[(Z)-hex-3-enoxy]prop-1-en-2-yl]-4-methylbenzene
CID 146278023
hex-3-enyl 2-(2-phenylprop-1-enoxy)propanoate
CID 167438006
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
2-methyl-2-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiirane
CID 176604237
[(Z)-hex-3-enyl] 2-phenylacetate
CID 5367698
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
4-ethyl-4-[[(Z)-2-phenylprop-1-enoxy]methyl]thiane
CID 176603308
2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiirane 1-oxide
CID 176603220
bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate
CID 91698045
3-methyl-3-[[(Z)-2-phenylprop-1-enoxy]methyl]thietane 1-oxide
CID 176604573
1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene?
The IUPAC name of 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene (CID 155674731) is 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene is CC/C=C\CCOC=C(C)c1ccccc1.
What is the InChIKey of 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene?
The InChIKey is JMZUPIRPVXKCNH-JFOHSBFPSA-N. The full InChI is InChI=1S/C15H20O/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h4-8,10-11,13H,3,9,12H2,1-2H3/b5-4-,14-13?.
What are the key properties of 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene?
1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene has a molecular weight of 216.32 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene is sourced from PubChem (CID 155674731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).