[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene

C22H26O2 — CID 70357331

IUPAC[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
SMILESCC(C)=CCC/C(C)=C/C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H26O2/c1-18(2)11-10-12-19(3)17-22(23-20-13-6-4-7-14-20)24-21-15-8-5-9-16-21/h4-9,11,13-17,22H,10,12H2,1-3H3/b19-17+
InChIKeyWIBPRSHNRNPUGY-HTXNQAPBSA-N
MW322.45 g/mol
LogP6.16
Rot. Bonds8

About [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene

[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene (PubChem CID 70357331) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene.

Molecular Properties

Compound Name[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
PubChem CID70357331
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
SMILESCC(C)=CCC/C(C)=C/C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H26O2/c1-18(2)11-10-12-19(3)17-22(23-20-13-6-4-7-14-20)24-21-15-8-5-9-16-21/h4-9,11,13-17,22H,10,12H2,1-3H3/b19-17+
InChIKeyWIBPRSHNRNPUGY-HTXNQAPBSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2E)-3,7-dimethyl-1-(2-nitrophenoxy)octa-2,6-dienoxy]-2-nitrobenzene
CID 88603846
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
CID 70359002
(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
CID 71663930
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] benzenesulfonate
CID 89466477
[(3E)-4,8-dimethyl-1-phenylsulfanylnona-3,7-dien-2-yl] acetate
CID 11758966
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene
CID 69088540
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
CID 53435769
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene?
The IUPAC name of [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene (CID 70357331) is [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene.
What is the SMILES notation for [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene?
The canonical SMILES for [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene is CC(C)=CCC/C(C)=C/C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene?
The InChIKey is WIBPRSHNRNPUGY-HTXNQAPBSA-N. The full InChI is InChI=1S/C22H26O2/c1-18(2)11-10-12-19(3)17-22(23-20-13-6-4-7-14-20)24-21-15-8-5-9-16-21/h4-9,11,13-17,22H,10,12H2,1-3H3/b19-17+.
What are the key properties of [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene?
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene has a molecular weight of 322.45 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene is sourced from PubChem (CID 70357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).