1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene

C32H30 — CID 12022913

IUPAC1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene
SMILESCCCCC#C/C=C/C#Cc1ccc(-c2ccc(C#C/C=C/C#CCCCC)cc2)cc1
InChIInChI=1S/C32H30/c1-3-5-7-9-11-13-15-17-19-29-21-25-31(26-22-29)32-27-23-30(24-28-32)20-18-16-14-12-10-8-6-4-2/h13-16,21-28H,3-8H2,1-2H3/b15-13+,16-14+
InChIKeyQFXBPVCRRYOBIF-WXUKJITCSA-N
MW414.59 g/mol
LogP7.56
Rot. Bonds5

About 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene

1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene (PubChem CID 12022913) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene.

Molecular Properties

Compound Name1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene
PubChem CID12022913
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene
SMILESCCCCC#C/C=C/C#Cc1ccc(-c2ccc(C#C/C=C/C#CCCCC)cc2)cc1
InChIInChI=1S/C32H30/c1-3-5-7-9-11-13-15-17-19-29-21-25-31(26-22-29)32-27-23-30(24-28-32)20-18-16-14-12-10-8-6-4-2/h13-16,21-28H,3-8H2,1-2H3/b15-13+,16-14+
InChIKeyQFXBPVCRRYOBIF-WXUKJITCSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-dec-3-en-1,5-diynylbenzaldehyde
CID 71419156
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
1-fluoro-4-(4-hex-1-ynylphenyl)benzene
CID 19386407
2-dec-3-en-1,5-diynylphenol
CID 71419164
1-ethynyl-4-hex-1-ynylbenzene
CID 19050497
1-heptyl-4-[(E)-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]benzene
CID 19425004
1-dec-3-en-1,5-diynyl-2-methylsulfanylbenzene
CID 71419140
1-pentyl-4-[6-(4-propylphenyl)hex-3-en-1,5-diynyl]benzene
CID 54147822
(4-hex-1-ynylphenyl)methanol
CID 101212882
2-dec-3-en-1,5-diynylpyrazine
CID 71419179
4-hex-1-ynylaniline
CID 11845914
(E)-non-2-en-4-yne
CID 5367387

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene?
The IUPAC name of 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene (CID 12022913) is 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene.
What is the SMILES notation for 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene?
The canonical SMILES for 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene is CCCCC#C/C=C/C#Cc1ccc(-c2ccc(C#C/C=C/C#CCCCC)cc2)cc1.
What is the InChIKey of 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene?
The InChIKey is QFXBPVCRRYOBIF-WXUKJITCSA-N. The full InChI is InChI=1S/C32H30/c1-3-5-7-9-11-13-15-17-19-29-21-25-31(26-22-29)32-27-23-30(24-28-32)20-18-16-14-12-10-8-6-4-2/h13-16,21-28H,3-8H2,1-2H3/b15-13+,16-14+.
What are the key properties of 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene?
1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene has a molecular weight of 414.59 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene is sourced from PubChem (CID 12022913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).