1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene

C24H30 — CID 122396068

IUPAC1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
SMILESC=C(C(=C)c1ccc(CCCC)cc1)c1ccc(CCCC)cc1
InChIInChI=1S/C24H30/c1-5-7-9-21-11-15-23(16-12-21)19(3)20(4)24-17-13-22(14-18-24)10-8-6-2/h11-18H,3-10H2,1-2H3
InChIKeyFGNNWYPMSMLFHG-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.10
Rot. Bonds9

About 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene

1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene (PubChem CID 122396068) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
PubChem CID122396068
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
SMILESC=C(C(=C)c1ccc(CCCC)cc1)c1ccc(CCCC)cc1
InChIInChI=1S/C24H30/c1-5-7-9-21-11-15-23(16-12-21)19(3)20(4)24-17-13-22(14-18-24)10-8-6-2/h11-18H,3-10H2,1-2H3
InChIKeyFGNNWYPMSMLFHG-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.10
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

2-(4-butylphenyl)prop-2-en-1-ol
CID 58735370
1-butyl-4-[(3Z)-5-(4-ethylphenyl)-3,4-difluorohexa-1,3,5-trien-2-yl]benzene
CID 118911708
1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
1-[4-(4-butylphenyl)phenyl]ethenamine
CID 166698710
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
methyl 2-(4-pentylphenyl)prop-2-enoate
CID 139878463
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
4-[1-(4-butylphenyl)ethenyl]benzaldehyde
CID 87673195
1-(3-fluoroprop-1-en-2-yl)-4-pentylbenzene
CID 134447420
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene?
The IUPAC name of 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene (CID 122396068) is 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene.
What is the SMILES notation for 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene?
The canonical SMILES for 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene is C=C(C(=C)c1ccc(CCCC)cc1)c1ccc(CCCC)cc1.
What is the InChIKey of 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene?
The InChIKey is FGNNWYPMSMLFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-5-7-9-21-11-15-23(16-12-21)19(3)20(4)24-17-13-22(14-18-24)10-8-6-2/h11-18H,3-10H2,1-2H3.
What are the key properties of 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene?
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene has a molecular weight of 318.50 g/mol, XLogP of 7.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 122396068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).