1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene

C24H24 — CID 54400583

IUPAC1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene
SMILESCCCC#Cc1ccc(C#Cc2ccc(C=CCCC)cc2)cc1
InChIInChI=1S/C24H24/c1-3-5-7-9-21-11-15-23(16-12-21)19-20-24-17-13-22(14-18-24)10-8-6-4-2/h7,9,11-18H,3-6H2,1-2H3
InChIKeyVNDKOIDBACAQBY-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.05
Rot. Bonds4

About 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene

1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene (PubChem CID 54400583) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene
PubChem CID54400583
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene
SMILESCCCC#Cc1ccc(C#Cc2ccc(C=CCCC)cc2)cc1
InChIInChI=1S/C24H24/c1-3-5-7-9-21-11-15-23(16-12-21)19-20-24-17-13-22(14-18-24)10-8-6-4-2/h7,9,11-18H,3-6H2,1-2H3
InChIKeyVNDKOIDBACAQBY-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-pent-1-enyl]benzonitrile
CID 15363946
2,6-difluoro-4-[2-(4-pent-1-enylphenyl)ethynyl]benzonitrile
CID 54027574
2-fluoro-4-[2-[4-[(E)-pent-1-enyl]phenyl]ethynyl]-1-propylbenzene
CID 22922864
4-[(E)-pent-1-enyl]phenol
CID 15576502
1-[2-(4-butylcyclohexyl)ethyl]-4-[2-[4-[(E)-pent-1-enyl]phenyl]ethynyl]benzene
CID 139788019
3-decyl-6-[2-(4-pent-1-enylphenyl)ethynyl]pyridazine
CID 54372193
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 22922851
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
1-ethenyl-4-(4-pent-1-enylphenyl)benzene
CID 139623401
1-chloro-4-(4-pent-1-ynylphenyl)benzene
CID 19386294

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene?
The IUPAC name of 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene (CID 54400583) is 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene.
What is the SMILES notation for 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene?
The canonical SMILES for 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene is CCCC#Cc1ccc(C#Cc2ccc(C=CCCC)cc2)cc1.
What is the InChIKey of 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene?
The InChIKey is VNDKOIDBACAQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-3-5-7-9-21-11-15-23(16-12-21)19-20-24-17-13-22(14-18-24)10-8-6-4-2/h7,9,11-18H,3-6H2,1-2H3.
What are the key properties of 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene?
1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene has a molecular weight of 312.46 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene is sourced from PubChem (CID 54400583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).