1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene

C21H26 — CID 142863046

IUPAC1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene
SMILESCCCc1ccccc1CCC/C=C\c1ccc(C)cc1
InChIInChI=1S/C21H26/c1-3-9-20-12-7-8-13-21(20)11-6-4-5-10-19-16-14-18(2)15-17-19/h5,7-8,10,12-17H,3-4,6,9,11H2,1-2H3/b10-5-
InChIKeyADHLFTFFLHDFCP-YHYXMXQVSA-N
MW278.44 g/mol
LogP5.98
Rot. Bonds7

About 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene

1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene (PubChem CID 142863046) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene
PubChem CID142863046
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene
SMILESCCCc1ccccc1CCC/C=C\c1ccc(C)cc1
InChIInChI=1S/C21H26/c1-3-9-20-12-7-8-13-21(20)11-6-4-5-10-19-16-14-18(2)15-17-19/h5,7-8,10,12-17H,3-4,6,9,11H2,1-2H3/b10-5-
InChIKeyADHLFTFFLHDFCP-YHYXMXQVSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene (CID 142863046) is 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene is CCCc1ccccc1CCC/C=C\c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene?
The InChIKey is ADHLFTFFLHDFCP-YHYXMXQVSA-N. The full InChI is InChI=1S/C21H26/c1-3-9-20-12-7-8-13-21(20)11-6-4-5-10-19-16-14-18(2)15-17-19/h5,7-8,10,12-17H,3-4,6,9,11H2,1-2H3/b10-5-.
What are the key properties of 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene?
1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene has a molecular weight of 278.44 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-5-(2-propylphenyl)pent-1-enyl]benzene is sourced from PubChem (CID 142863046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).