(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene

C26H36O — CID 172735190

IUPAC(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene
SMILESC=CC(CCCCCCCCC)OCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O/c1-3-5-6-7-8-9-16-21-25(4-2)27-22-26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h4,10-15,17-20,25-26H,2-3,5-9,16,21-22H2,1H3
InChIKeyIIILCLRLUULRNU-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.53
Rot. Bonds14

About (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene

(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene (PubChem CID 172735190) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene.

Molecular Properties

Compound Name(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene
PubChem CID172735190
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene
SMILESC=CC(CCCCCCCCC)OCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O/c1-3-5-6-7-8-9-16-21-25(4-2)27-22-26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h4,10-15,17-20,25-26H,2-3,5-9,16,21-22H2,1H3
InChIKeyIIILCLRLUULRNU-UHFFFAOYSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 561879
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CID 11735422
3-propoxynonadec-1-ene
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1-nonadecoxyprop-2-enylbenzene
CID 139672742
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CID 139672746
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CID 13312187
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741
1-ethoxydecylbenzene
CID 71423896
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
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CID 174774790

Frequently Asked Questions

What is the IUPAC name of (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene?
The IUPAC name of (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene (CID 172735190) is (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene.
What is the SMILES notation for (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene?
The canonical SMILES for (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene is C=CC(CCCCCCCCC)OCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene?
The InChIKey is IIILCLRLUULRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-3-5-6-7-8-9-16-21-25(4-2)27-22-26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h4,10-15,17-20,25-26H,2-3,5-9,16,21-22H2,1H3.
What are the key properties of (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene?
(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene has a molecular weight of 364.57 g/mol, XLogP of 7.53, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodec-1-en-3-yloxy-1-phenylethyl)benzene is sourced from PubChem (CID 172735190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).