1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene

C16H22O — CID 167457569

IUPAC1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene
SMILESC/C=C\C(=C/C)COc1ccc(CCC)cc1
InChIInChI=1S/C16H22O/c1-4-7-14(6-3)13-17-16-11-9-15(8-5-2)10-12-16/h4,6-7,9-12H,5,8,13H2,1-3H3/b7-4-,14-6+
InChIKeyBINNENCQLFJMDE-QWPDWJTASA-N
MW230.35 g/mol
LogP4.54
Rot. Bonds6

About 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene

1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene (PubChem CID 167457569) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene.

Molecular Properties

Compound Name1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene
PubChem CID167457569
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene
SMILESC/C=C\C(=C/C)COc1ccc(CCC)cc1
InChIInChI=1S/C16H22O/c1-4-7-14(6-3)13-17-16-11-9-15(8-5-2)10-12-16/h4,6-7,9-12H,5,8,13H2,1-3H3/b7-4-,14-6+
InChIKeyBINNENCQLFJMDE-QWPDWJTASA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
CID 88575510
1-(4-propylphenoxy)pentan-2-one
CID 62549961
methyl 2-(4-propylphenoxy)acetate
CID 19911850
1-prop-1-enoxy-4-propylbenzene
CID 172744984
1-nonoxy-4-propylbenzene
CID 118632119
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
(4-propylphenyl) hypochlorite
CID 175330115
1-cyclopropyl-2-(4-propylphenoxy)ethanol
CID 63908083
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-propylbenzamide
CID 60584849
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
ethane;1-methoxy-4-propylbenzene
CID 142085762

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene?
The IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene (CID 167457569) is 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene.
What is the SMILES notation for 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene?
The canonical SMILES for 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene is C/C=C\C(=C/C)COc1ccc(CCC)cc1.
What is the InChIKey of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene?
The InChIKey is BINNENCQLFJMDE-QWPDWJTASA-N. The full InChI is InChI=1S/C16H22O/c1-4-7-14(6-3)13-17-16-11-9-15(8-5-2)10-12-16/h4,6-7,9-12H,5,8,13H2,1-3H3/b7-4-,14-6+.
What are the key properties of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene?
1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene has a molecular weight of 230.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene is sourced from PubChem (CID 167457569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).