1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene

C26H32 — CID 21464604

IUPAC1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
SMILESC/C=C/CCC1=CCC(c2ccc(-c3ccc(CCC)cc3)cc2)CC1
InChIInChI=1S/C26H32/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h3,5,9-11,13-14,17-20,24H,4,6-8,12,15-16H2,1-2H3/b5-3+
InChIKeyOYXSOOVUFJCQFG-HWKANZROSA-N
MW344.54 g/mol
LogP7.86
Rot. Bonds7

About 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene

1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene (PubChem CID 21464604) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
PubChem CID21464604
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
SMILESC/C=C/CCC1=CCC(c2ccc(-c3ccc(CCC)cc3)cc2)CC1
InChIInChI=1S/C26H32/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h3,5,9-11,13-14,17-20,24H,4,6-8,12,15-16H2,1-2H3/b5-3+
InChIKeyOYXSOOVUFJCQFG-HWKANZROSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.86
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-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
4-[2-[4-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]phenyl]ethyl]benzonitrile
CID 21464549
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene
CID 21464583
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-pentylbenzene
CID 21464596
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671
1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
CID 140619230
(4aR,6R,8aR)-2-methyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809526
1-pent-3-enyl-4-propylbenzene
CID 72599491
pentafluoro-[4-[4-(4-propylphenyl)cyclohexen-1-yl]phenyl]-λ6-sulfane
CID 88523437
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
(4aR,6R,8aR)-2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809523
2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384397

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene?
The IUPAC name of 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene (CID 21464604) is 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene is C/C=C/CCC1=CCC(c2ccc(-c3ccc(CCC)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene?
The InChIKey is OYXSOOVUFJCQFG-HWKANZROSA-N. The full InChI is InChI=1S/C26H32/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h3,5,9-11,13-14,17-20,24H,4,6-8,12,15-16H2,1-2H3/b5-3+.
What are the key properties of 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene?
1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene has a molecular weight of 344.54 g/mol, XLogP of 7.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene is sourced from PubChem (CID 21464604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).