1-[2-[(E)-dec-1-enyl]phenyl]ethanone

C18H26O — CID 11108026

IUPAC1-[2-[(E)-dec-1-enyl]phenyl]ethanone
SMILESCCCCCCCC/C=C/c1ccccc1C(C)=O
InChIInChI=1S/C18H26O/c1-3-4-5-6-7-8-9-10-13-17-14-11-12-15-18(17)16(2)19/h10-15H,3-9H2,1-2H3/b13-10+
InChIKeyPXIBLBJFMRBQHT-JLHYYAGUSA-N
MW258.40 g/mol
LogP5.65
Rot. Bonds9

About 1-[2-[(E)-dec-1-enyl]phenyl]ethanone

1-[2-[(E)-dec-1-enyl]phenyl]ethanone (PubChem CID 11108026) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[2-[(E)-dec-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-dec-1-enyl]phenyl]ethanone
PubChem CID11108026
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-[2-[(E)-dec-1-enyl]phenyl]ethanone
SMILESCCCCCCCC/C=C/c1ccccc1C(C)=O
InChIInChI=1S/C18H26O/c1-3-4-5-6-7-8-9-10-13-17-14-11-12-15-18(17)16(2)19/h10-15H,3-9H2,1-2H3/b13-10+
InChIKeyPXIBLBJFMRBQHT-JLHYYAGUSA-N
XLogP5.65
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 ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-[(E)-dec-1-enyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hept-1-enylbenzoic acid
CID 70379014
ethyl 2-hexadec-1-enylbenzoate
CID 57037855
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[2-(3-aminoprop-1-enyl)phenyl]ethanone
CID 169463496
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
methyl-[2-[(E)-tridec-1-enyl]phenyl]carbamic acid
CID 175027963
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
CID 173281821
CID 173281821
1-bromo-2-oct-1-enylbenzene
CID 54357749
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-dec-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(E)-dec-1-enyl]phenyl]ethanone (CID 11108026) is 1-[2-[(E)-dec-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(E)-dec-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(E)-dec-1-enyl]phenyl]ethanone is CCCCCCCC/C=C/c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[(E)-dec-1-enyl]phenyl]ethanone?
The InChIKey is PXIBLBJFMRBQHT-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H26O/c1-3-4-5-6-7-8-9-10-13-17-14-11-12-15-18(17)16(2)19/h10-15H,3-9H2,1-2H3/b13-10+.
What are the key properties of 1-[2-[(E)-dec-1-enyl]phenyl]ethanone?
1-[2-[(E)-dec-1-enyl]phenyl]ethanone has a molecular weight of 258.40 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-dec-1-enyl]phenyl]ethanone is sourced from PubChem (CID 11108026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).