1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene

C25H34 — CID 132510500

IUPAC1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene
SMILESCCCCCC[C@](C)(/C=C/CCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C25H34/c1-4-5-6-11-20-25(3,24-18-16-22(2)17-19-24)21-12-10-15-23-13-8-7-9-14-23/h7-9,12-14,16-19,21H,4-6,10-11,15,20H2,1-3H3/b21-12+/t25-/m1/s1
InChIKeyCAQDOXXOVDGIPZ-XDAQDVOSSA-N
MW334.55 g/mol
LogP7.41
Rot. Bonds10

About 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene

1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene (PubChem CID 132510500) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene
PubChem CID132510500
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene
SMILESCCCCCC[C@](C)(/C=C/CCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C25H34/c1-4-5-6-11-20-25(3,24-18-16-22(2)17-19-24)21-12-10-15-23-13-8-7-9-14-23/h7-9,12-14,16-19,21H,4-6,10-11,15,20H2,1-3H3/b21-12+/t25-/m1/s1
InChIKeyCAQDOXXOVDGIPZ-XDAQDVOSSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.41
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'}

Analyze 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene 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

[(E,4S)-4-methylnon-2-en-4-yl]benzene
CID 101254578
2-methyl-2-phenylicosanal
CID 174730762
4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 89345012
3,3-dimethyltetradecylbenzene
CID 141108755
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
dodec-4-enylbenzene
CID 54018856
2-(4-methylphenyl)octan-2-ol
CID 65144778
nonadec-10-enylbenzene
CID 54264053

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene?
The IUPAC name of 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene (CID 132510500) is 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene?
The canonical SMILES for 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene is CCCCCC[C@](C)(/C=C/CCc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene?
The InChIKey is CAQDOXXOVDGIPZ-XDAQDVOSSA-N. The full InChI is InChI=1S/C25H34/c1-4-5-6-11-20-25(3,24-18-16-22(2)17-19-24)21-12-10-15-23-13-8-7-9-14-23/h7-9,12-14,16-19,21H,4-6,10-11,15,20H2,1-3H3/b21-12+/t25-/m1/s1.
What are the key properties of 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene?
1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene has a molecular weight of 334.55 g/mol, XLogP of 7.41, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E,5R)-5-methyl-1-phenylundec-3-en-5-yl]benzene is sourced from PubChem (CID 132510500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).