[4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene

C24H26O — CID 172997253

IUPAC[4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene
SMILESC=CC(=CCOCC=C(C=C)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26O/c1-3-21(19-23-11-7-5-8-12-23)15-17-25-18-16-22(4-2)20-24-13-9-6-10-14-24/h3-16H,1-2,17-20H2
InChIKeySOWSEHIUPBXWRQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.71
Rot. Bonds10

About [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene

[4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene (PubChem CID 172997253) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene.

Molecular Properties

Compound Name[4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene
PubChem CID172997253
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name[4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene
SMILESC=CC(=CCOCC=C(C=C)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26O/c1-3-21(19-23-11-7-5-8-12-23)15-17-25-18-16-22(4-2)20-24-13-9-6-10-14-24/h3-16H,1-2,17-20H2
InChIKeySOWSEHIUPBXWRQ-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-4-benzylhexa-1,3,5-trien-2-ol
CID 144855364
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
CID 143940150
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
2,3-bis(ethenyl)penta-2,4-dienylbenzene
CID 142535288
[(2E,4E)-3,5-dibromohepta-2,4,6-trienoxy]methylbenzene
CID 143253089
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
CID 156852680
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366

Frequently Asked Questions

What is the IUPAC name of [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene?
The IUPAC name of [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene (CID 172997253) is [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene.
What is the SMILES notation for [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene?
The canonical SMILES for [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene is C=CC(=CCOCC=C(C=C)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene?
The InChIKey is SOWSEHIUPBXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-3-21(19-23-11-7-5-8-12-23)15-17-25-18-16-22(4-2)20-24-13-9-6-10-14-24/h3-16H,1-2,17-20H2.
What are the key properties of [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene?
[4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene has a molecular weight of 330.47 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-benzylpenta-2,4-dienoxy)-2-ethenylbut-2-enyl]benzene is sourced from PubChem (CID 172997253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).