(E,4R)-4-phenyldodec-5-en-2-one

C18H26O — CID 11357371

IUPAC(E,4R)-4-phenyldodec-5-en-2-one
SMILESCCCCCC/C=C/[C@@H](CC(C)=O)c1ccccc1
InChIInChI=1S/C18H26O/c1-3-4-5-6-7-9-14-18(15-16(2)19)17-12-10-8-11-13-17/h8-14,18H,3-7,15H2,1-2H3/b14-9+/t18-/m0/s1
InChIKeyLBBJULJDTOOZOA-MXHVWWQHSA-N
MW258.40 g/mol
LogP5.28
Rot. Bonds9

About (E,4R)-4-phenyldodec-5-en-2-one

(E,4R)-4-phenyldodec-5-en-2-one (PubChem CID 11357371) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (E,4R)-4-phenyldodec-5-en-2-one.

Molecular Properties

Compound Name(E,4R)-4-phenyldodec-5-en-2-one
PubChem CID11357371
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(E,4R)-4-phenyldodec-5-en-2-one
SMILESCCCCCC/C=C/[C@@H](CC(C)=O)c1ccccc1
InChIInChI=1S/C18H26O/c1-3-4-5-6-7-9-14-18(15-16(2)19)17-12-10-8-11-13-17/h8-14,18H,3-7,15H2,1-2H3/b14-9+/t18-/m0/s1
InChIKeyLBBJULJDTOOZOA-MXHVWWQHSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.28
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

(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(Z,2R)-2-phenyloct-3-en-1-ol
CID 11106477
dimethyl 2-[(E)-1-phenylnon-2-enyl]propanedioate
CID 102138325
octadec-3-en-2-ylbenzene
CID 140717946
(E)-1-phenyloct-2-en-1-ol
CID 10822082
dodec-3-en-2-ylbenzene
CID 140717956
(E)-2-(2-oxopropyl)tetradec-3-enoic acid
CID 134266543
(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one
CID 10805540
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
(E)-1,4-diphenylhept-2-ene-1,6-dione
CID 12655089
[(Z)-octadec-9-enyl] (2S)-2-amino-2-phenylacetate
CID 24894063
diethyl-octadec-9-enoyl-(1-phenylpropyl)azanium chloride
CID 173064336

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-phenyldodec-5-en-2-one?
The IUPAC name of (E,4R)-4-phenyldodec-5-en-2-one (CID 11357371) is (E,4R)-4-phenyldodec-5-en-2-one.
What is the SMILES notation for (E,4R)-4-phenyldodec-5-en-2-one?
The canonical SMILES for (E,4R)-4-phenyldodec-5-en-2-one is CCCCCC/C=C/[C@@H](CC(C)=O)c1ccccc1.
What is the InChIKey of (E,4R)-4-phenyldodec-5-en-2-one?
The InChIKey is LBBJULJDTOOZOA-MXHVWWQHSA-N. The full InChI is InChI=1S/C18H26O/c1-3-4-5-6-7-9-14-18(15-16(2)19)17-12-10-8-11-13-17/h8-14,18H,3-7,15H2,1-2H3/b14-9+/t18-/m0/s1.
What are the key properties of (E,4R)-4-phenyldodec-5-en-2-one?
(E,4R)-4-phenyldodec-5-en-2-one has a molecular weight of 258.40 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-phenyldodec-5-en-2-one is sourced from PubChem (CID 11357371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).