2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane

C28H36O4 — CID 11339567

IUPAC2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
SMILESCC/C(=C(/CC)c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C28H36O4/c1-3-25(21-11-15-23(16-12-21)31-27-9-5-7-19-29-27)26(4-2)22-13-17-24(18-14-22)32-28-10-6-8-20-30-28/h11-18,27-28H,3-10,19-20H2,1-2H3/b26-25+
InChIKeyYJKNYVYIRVHGPU-OCEACIFDSA-N
MW436.59 g/mol
LogP7.23
Rot. Bonds8

About 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane

2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane (PubChem CID 11339567) has the molecular formula C28H36O4 and a molecular weight of 436.59 g/mol. Its IUPAC name is 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane.

Molecular Properties

Compound Name2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
PubChem CID11339567
Molecular FormulaC28H36O4
Molecular Weight436.59 g/mol
Exact Mass436.26
IUPAC Name2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
SMILESCC/C(=C(/CC)c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C28H36O4/c1-3-25(21-11-15-23(16-12-21)31-27-9-5-7-19-29-27)26(4-2)22-13-17-24(18-14-22)32-28-10-6-8-20-30-28/h11-18,27-28H,3-10,19-20H2,1-2H3/b26-25+
InChIKeyYJKNYVYIRVHGPU-OCEACIFDSA-N
XLogP7.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.59
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane 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

2-[4-[(Z)-1-(4-nitrophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-en-2-yl]phenoxy]oxane
CID 11526597
N-tert-butyl-1-[4-(oxan-2-yloxy)phenyl]propan-1-imine oxide
CID 154059457
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(oxan-2-yloxy)phenol
CID 11745519
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
CID 24722283
2-[4-[1-[4-[3-(1,3-dioxolan-2-yl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]oxane
CID 151298833
2-[4-[(E)-2-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 15094498
2-[4-[(Z)-2-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 15094499
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
CID 168763543
CID 168763543
triethoxy-[4-(oxan-2-yloxy)phenyl]silane
CID 71105884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane?
The IUPAC name of 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane (CID 11339567) is 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane.
What is the SMILES notation for 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane?
The canonical SMILES for 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane is CC/C(=C(/CC)c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane?
The InChIKey is YJKNYVYIRVHGPU-OCEACIFDSA-N. The full InChI is InChI=1S/C28H36O4/c1-3-25(21-11-15-23(16-12-21)31-27-9-5-7-19-29-27)26(4-2)22-13-17-24(18-14-22)32-28-10-6-8-20-30-28/h11-18,27-28H,3-10,19-20H2,1-2H3/b26-25+.
What are the key properties of 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane?
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane has a molecular weight of 436.59 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane is sourced from PubChem (CID 11339567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).