[(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene

C25H28 — CID 58674078

IUPAC[(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene
SMILESC=C(C/C=C/c1ccccc1)CCC(=C)C(C(=C)C)c1ccccc1
InChIInChI=1S/C25H28/c1-20(2)25(24-16-9-6-10-17-24)22(4)19-18-21(3)12-11-15-23-13-7-5-8-14-23/h5-11,13-17,25H,1,3-4,12,18-19H2,2H3/b15-11+
InChIKeyNROWZUPAFBYGSN-RVDMUPIBSA-N
MW328.50 g/mol
LogP7.34
Rot. Bonds9

About [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene

[(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene (PubChem CID 58674078) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene.

Molecular Properties

Compound Name[(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene
PubChem CID58674078
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name[(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene
SMILESC=C(C/C=C/c1ccccc1)CCC(=C)C(C(=C)C)c1ccccc1
InChIInChI=1S/C25H28/c1-20(2)25(24-16-9-6-10-17-24)22(4)19-18-21(3)12-11-15-23-13-7-5-8-14-23/h5-11,13-17,25H,1,3-4,12,18-19H2,2H3/b15-11+
InChIKeyNROWZUPAFBYGSN-RVDMUPIBSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]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

3-methylidenehepta-1,5-dienylbenzene
CID 90998971
1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine
CID 53360984
2-methylbut-2-enoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 70152927
(8,9-dimethyl-6-methylidenedeca-1,8-dienyl)benzene
CID 134863216
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene
CID 12007048
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene
CID 134852441
methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
2-methylidenehexanoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 69286531
[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene
CID 95240086
2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532

Frequently Asked Questions

What is the IUPAC name of [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene?
The IUPAC name of [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene (CID 58674078) is [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene.
What is the SMILES notation for [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene?
The canonical SMILES for [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene is C=C(C/C=C/c1ccccc1)CCC(=C)C(C(=C)C)c1ccccc1.
What is the InChIKey of [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene?
The InChIKey is NROWZUPAFBYGSN-RVDMUPIBSA-N. The full InChI is InChI=1S/C25H28/c1-20(2)25(24-16-9-6-10-17-24)22(4)19-18-21(3)12-11-15-23-13-7-5-8-14-23/h5-11,13-17,25H,1,3-4,12,18-19H2,2H3/b15-11+.
What are the key properties of [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene?
[(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene has a molecular weight of 328.50 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene is sourced from PubChem (CID 58674078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).