[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene

C29H39OP — CID 11373912

IUPAC[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene
SMILESCCCCCCCCCC/C=C/P(=O)(/C=C/Cc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C29H39OP/c1-2-3-4-5-6-7-8-9-10-17-25-31(30,27-24-29-21-15-12-16-22-29)26-18-23-28-19-13-11-14-20-28/h11-22,24-27H,2-10,23H2,1H3/b25-17+,26-18+,27-24+
InChIKeySLXRDORZGDLGFD-WOVKQBCDSA-N
MW434.60 g/mol
LogP9.82
Rot. Bonds15

About [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene

[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene (PubChem CID 11373912) has the molecular formula C29H39OP and a molecular weight of 434.60 g/mol. Its IUPAC name is [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene
PubChem CID11373912
Molecular FormulaC29H39OP
Molecular Weight434.60 g/mol
Exact Mass434.27
IUPAC Name[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene
SMILESCCCCCCCCCC/C=C/P(=O)(/C=C/Cc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C29H39OP/c1-2-3-4-5-6-7-8-9-10-17-25-31(30,27-24-29-21-15-12-16-22-29)26-18-23-28-19-13-11-14-20-28/h11-22,24-27H,2-10,23H2,1H3/b25-17+,26-18+,27-24+
InChIKeySLXRDORZGDLGFD-WOVKQBCDSA-N
XLogP9.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.60
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oct-1-enylbenzene;phosphoric acid
CID 159316508
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-oct-2-enyl]benzene
CID 13383320
1-bis(hept-1-enyl)phosphorylhept-1-ene
CID 150808635
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
ethoxyethane;[(E)-oct-2-enyl]benzene
CID 67924606
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene?
The IUPAC name of [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene (CID 11373912) is [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene.
What is the SMILES notation for [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene?
The canonical SMILES for [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene is CCCCCCCCCC/C=C/P(=O)(/C=C/Cc1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene?
The InChIKey is SLXRDORZGDLGFD-WOVKQBCDSA-N. The full InChI is InChI=1S/C29H39OP/c1-2-3-4-5-6-7-8-9-10-17-25-31(30,27-24-29-21-15-12-16-22-29)26-18-23-28-19-13-11-14-20-28/h11-22,24-27H,2-10,23H2,1H3/b25-17+,26-18+,27-24+.
What are the key properties of [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene?
[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene has a molecular weight of 434.60 g/mol, XLogP of 9.82, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene is sourced from PubChem (CID 11373912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).