4-methylocta-4,6-dien-3-ylbenzene

C15H20 — CID 123891099

IUPAC4-methylocta-4,6-dien-3-ylbenzene
SMILESCC=CC=C(C)C(CC)c1ccccc1
InChIInChI=1S/C15H20/c1-4-6-10-13(3)15(5-2)14-11-8-7-9-12-14/h4,6-12,15H,5H2,1-3H3
InChIKeyUEHZLWNQUSGTSP-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.70
Rot. Bonds4

About 4-methylocta-4,6-dien-3-ylbenzene

4-methylocta-4,6-dien-3-ylbenzene (PubChem CID 123891099) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-methylocta-4,6-dien-3-ylbenzene.

Molecular Properties

Compound Name4-methylocta-4,6-dien-3-ylbenzene
PubChem CID123891099
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name4-methylocta-4,6-dien-3-ylbenzene
SMILESCC=CC=C(C)C(CC)c1ccccc1
InChIInChI=1S/C15H20/c1-4-6-10-13(3)15(5-2)14-11-8-7-9-12-14/h4,6-12,15H,5H2,1-3H3
InChIKeyUEHZLWNQUSGTSP-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methylocta-4,6-dien-3-ylbenzene 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

ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene
CID 142101602
1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine
CID 146188955
ethyl (2E,4E)-2-[hydroxy(phenyl)methyl]hexa-2,4-dienoate
CID 101377284
(2R)-2-phenylbutanamide
CID 139147476
(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
CID 176995490
(Z)-3-phenylhept-5-en-2-one
CID 5363833
acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol
CID 154692141
1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol
CID 129159331
benzene;ethane;3-phenylpentan-2-one;bis(1,1,1-trifluoroethane)
CID 91500791
ethenyl 2-phenylbutanoate
CID 10932238
[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium
CID 170234341
amino 2-phenylbutanoate
CID 21430295

Frequently Asked Questions

What is the IUPAC name of 4-methylocta-4,6-dien-3-ylbenzene?
The IUPAC name of 4-methylocta-4,6-dien-3-ylbenzene (CID 123891099) is 4-methylocta-4,6-dien-3-ylbenzene.
What is the SMILES notation for 4-methylocta-4,6-dien-3-ylbenzene?
The canonical SMILES for 4-methylocta-4,6-dien-3-ylbenzene is CC=CC=C(C)C(CC)c1ccccc1.
What is the InChIKey of 4-methylocta-4,6-dien-3-ylbenzene?
The InChIKey is UEHZLWNQUSGTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-6-10-13(3)15(5-2)14-11-8-7-9-12-14/h4,6-12,15H,5H2,1-3H3.
What are the key properties of 4-methylocta-4,6-dien-3-ylbenzene?
4-methylocta-4,6-dien-3-ylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylocta-4,6-dien-3-ylbenzene is sourced from PubChem (CID 123891099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).