ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene

C23H32O2 — CID 142063297

IUPACethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
SMILESC=C/C=C\C(=C/C)Oc1cccc(O/C(C=C)=C/C=C)c1.CC.CC
InChIInChI=1S/C19H20O2.2C2H6/c1-5-9-12-17(8-4)21-19-14-10-13-18(15-19)20-16(7-3)11-6-2;2*1-2/h5-15H,1-3H2,4H3;2*1-2H3/b12-9-,16-11+,17-8+;;
InChIKeyQPOTZAKWFAAAPJ-LOOVDFPQSA-N
MW340.51 g/mol
LogP7.40
Rot. Bonds8

About ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene

ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene (PubChem CID 142063297) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
PubChem CID142063297
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Nameethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
SMILESC=C/C=C\C(=C/C)Oc1cccc(O/C(C=C)=C/C=C)c1.CC.CC
InChIInChI=1S/C19H20O2.2C2H6/c1-5-9-12-17(8-4)21-19-14-10-13-18(15-19)20-16(7-3)11-6-2;2*1-2/h5-15H,1-3H2,4H3;2*1-2H3/b12-9-,16-11+,17-8+;;
InChIKeyQPOTZAKWFAAAPJ-LOOVDFPQSA-N
XLogP7.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene 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

1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-(methoxymethyl)benzene
CID 143729565
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
CID 166945579
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
ethane;1-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 144940147
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
CID 143523190
[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate
CID 130346897
1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-4-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]propan-2-yl]benzene
CID 142614427
3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline
CID 142867321
3-[2-[3-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]ethylamino]propan-1-ol
CID 167461201
2-[2-fluoro-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87085409
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene
CID 143269279
(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine
CID 142985984

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene?
The IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene (CID 142063297) is ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene.
What is the SMILES notation for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene?
The canonical SMILES for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene is C=C/C=C\C(=C/C)Oc1cccc(O/C(C=C)=C/C=C)c1.CC.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene?
The InChIKey is QPOTZAKWFAAAPJ-LOOVDFPQSA-N. The full InChI is InChI=1S/C19H20O2.2C2H6/c1-5-9-12-17(8-4)21-19-14-10-13-18(15-19)20-16(7-3)11-6-2;2*1-2/h5-15H,1-3H2,4H3;2*1-2H3/b12-9-,16-11+,17-8+;;.
What are the key properties of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene?
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene has a molecular weight of 340.51 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene is sourced from PubChem (CID 142063297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).