1-butyl-4-penta-2,4-dien-2-ylbenzene

C15H20 — CID 123525800

IUPAC1-butyl-4-penta-2,4-dien-2-ylbenzene
SMILESC=CC=C(C)c1ccc(CCCC)cc1
InChIInChI=1S/C15H20/c1-4-6-8-14-9-11-15(12-10-14)13(3)7-5-2/h5,7,9-12H,2,4,6,8H2,1,3H3
InChIKeyFXXJVVKJHOHKEG-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.62
Rot. Bonds5

About 1-butyl-4-penta-2,4-dien-2-ylbenzene

1-butyl-4-penta-2,4-dien-2-ylbenzene (PubChem CID 123525800) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-butyl-4-penta-2,4-dien-2-ylbenzene.

Molecular Properties

Compound Name1-butyl-4-penta-2,4-dien-2-ylbenzene
PubChem CID123525800
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-butyl-4-penta-2,4-dien-2-ylbenzene
SMILESC=CC=C(C)c1ccc(CCCC)cc1
InChIInChI=1S/C15H20/c1-4-6-8-14-9-11-15(12-10-14)13(3)7-5-2/h5,7,9-12H,2,4,6,8H2,1,3H3
InChIKeyFXXJVVKJHOHKEG-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene
CID 143872208
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
1-butyl-4-[(3Z,5E)-7-(4-ethylphenyl)-5-fluorohepta-1,3,5-trien-4-yl]benzene
CID 134174223
1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
2-(4-butylphenyl)prop-2-en-1-ol
CID 58735370
(E)-2,2-dimethyl-5-(4-pentylphenyl)hex-4-en-3-one
CID 59409740
4-butylbenzoic acid;zinc
CID 175174767
1-(4-pentylphenyl)ethanethione
CID 145379251
CID 69445910
CID 69445910
4-[1-(4-butylphenyl)ethenyl]benzaldehyde
CID 87673195
1-[4-(4-butylphenyl)phenyl]ethenamine
CID 166698710

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-penta-2,4-dien-2-ylbenzene?
The IUPAC name of 1-butyl-4-penta-2,4-dien-2-ylbenzene (CID 123525800) is 1-butyl-4-penta-2,4-dien-2-ylbenzene.
What is the SMILES notation for 1-butyl-4-penta-2,4-dien-2-ylbenzene?
The canonical SMILES for 1-butyl-4-penta-2,4-dien-2-ylbenzene is C=CC=C(C)c1ccc(CCCC)cc1.
What is the InChIKey of 1-butyl-4-penta-2,4-dien-2-ylbenzene?
The InChIKey is FXXJVVKJHOHKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-6-8-14-9-11-15(12-10-14)13(3)7-5-2/h5,7,9-12H,2,4,6,8H2,1,3H3.
What are the key properties of 1-butyl-4-penta-2,4-dien-2-ylbenzene?
1-butyl-4-penta-2,4-dien-2-ylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-penta-2,4-dien-2-ylbenzene is sourced from PubChem (CID 123525800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).