dodec-3-en-2-ylbenzene

C18H28 — CID 140717956

IUPACdodec-3-en-2-ylbenzene
SMILESCCCCCCCCC=CC(C)c1ccccc1
InChIInChI=1S/C18H28/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10-17H,3-9H2,1-2H3
InChIKeyKBEJPTUCVMVWPO-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.10
Rot. Bonds9

About dodec-3-en-2-ylbenzene

dodec-3-en-2-ylbenzene (PubChem CID 140717956) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is dodec-3-en-2-ylbenzene.

Molecular Properties

Compound Namedodec-3-en-2-ylbenzene
PubChem CID140717956
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Namedodec-3-en-2-ylbenzene
SMILESCCCCCCCCC=CC(C)c1ccccc1
InChIInChI=1S/C18H28/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10-17H,3-9H2,1-2H3
InChIKeyKBEJPTUCVMVWPO-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

octadec-3-en-2-ylbenzene
CID 140717946
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(E)-1-phenyloct-2-en-1-ol
CID 10822082
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
CID 101491741
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371
(E,2S,3S)-2-(benzhydrylideneamino)octadec-4-en-3-ol
CID 10366367
(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 11821614
(Z)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 102600669

Frequently Asked Questions

What is the IUPAC name of dodec-3-en-2-ylbenzene?
The IUPAC name of dodec-3-en-2-ylbenzene (CID 140717956) is dodec-3-en-2-ylbenzene.
What is the SMILES notation for dodec-3-en-2-ylbenzene?
The canonical SMILES for dodec-3-en-2-ylbenzene is CCCCCCCCC=CC(C)c1ccccc1.
What is the InChIKey of dodec-3-en-2-ylbenzene?
The InChIKey is KBEJPTUCVMVWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10-17H,3-9H2,1-2H3.
What are the key properties of dodec-3-en-2-ylbenzene?
dodec-3-en-2-ylbenzene has a molecular weight of 244.42 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-3-en-2-ylbenzene is sourced from PubChem (CID 140717956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).