2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene

C24H28 — CID 139853030

IUPAC2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(c2)CCC(CCC=C)C3)cc1
InChIInChI=1S/C24H28/c1-3-5-7-19-9-12-21(13-10-19)23-16-15-22-17-20(8-6-4-2)11-14-24(22)18-23/h3-4,9-10,12-13,15-16,18,20H,1-2,5-8,11,14,17H2
InChIKeyUHTHQDUNTNEZNF-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.54
Rot. Bonds7

About 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene

2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853030) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853030
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(c2)CCC(CCC=C)C3)cc1
InChIInChI=1S/C24H28/c1-3-5-7-19-9-12-21(13-10-19)23-16-15-22-17-20(8-6-4-2)11-14-24(22)18-23/h3-4,9-10,12-13,15-16,18,20H,1-2,5-8,11,14,17H2
InChIKeyUHTHQDUNTNEZNF-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853030) is 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene is C=CCCc1ccc(-c2ccc3c(c2)CCC(CCC=C)C3)cc1.
What is the InChIKey of 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UHTHQDUNTNEZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-3-5-7-19-9-12-21(13-10-19)23-16-15-22-17-20(8-6-4-2)11-14-24(22)18-23/h3-4,9-10,12-13,15-16,18,20H,1-2,5-8,11,14,17H2.
What are the key properties of 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene?
2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 316.49 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).