1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene

C24H28 — CID 21464583

IUPAC1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene
SMILESC=CCCC1=CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C24H28/c1-3-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(4-2)8-12-21/h3,7-9,11-12,15-18,22H,1,4-6,10,13-14H2,2H3
InChIKeyUNSVBEMMOFCJJN-UHFFFAOYSA-N
MW316.49 g/mol
LogP7.08
Rot. Bonds6

About 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene

1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene (PubChem CID 21464583) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene.

Molecular Properties

Compound Name1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene
PubChem CID21464583
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene
SMILESC=CCCC1=CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C24H28/c1-3-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(4-2)8-12-21/h3,7-9,11-12,15-18,22H,1,4-6,10,13-14H2,2H3
InChIKeyUNSVBEMMOFCJJN-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-but-3-enylcyclohex-3-en-1-yl)-4-pentylbenzene
CID 21464596
1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
CID 21464604
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]phenyl]benzene
CID 139803625
1-(4-hex-5-enylcyclohex-3-en-1-yl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 21464592
4-[2-[4-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]phenyl]ethyl]benzonitrile
CID 21464549
1-methyl-4-[4-[4-[[4-[4-(4-methylphenyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]phenyl]benzene
CID 139803571
1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene
CID 22131658
1-ethyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohex-3-en-1-yl]benzene
CID 19983948
6-(4-ethylphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852181
1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803705
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849417

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene?
The IUPAC name of 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene (CID 21464583) is 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene.
What is the SMILES notation for 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene?
The canonical SMILES for 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene is C=CCCC1=CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.
What is the InChIKey of 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene?
The InChIKey is UNSVBEMMOFCJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-3-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(4-2)8-12-21/h3,7-9,11-12,15-18,22H,1,4-6,10,13-14H2,2H3.
What are the key properties of 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene?
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene has a molecular weight of 316.49 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene is sourced from PubChem (CID 21464583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).