1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene

C22H26 — CID 139928105

IUPAC1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene
SMILESCCCc1ccc(C2=CCC(C(C)(C)C)=C2)c2ccccc12
InChIInChI=1S/C22H26/c1-5-8-16-12-14-20(21-10-7-6-9-19(16)21)17-11-13-18(15-17)22(2,3)4/h6-7,9-12,14-15H,5,8,13H2,1-4H3
InChIKeyQNJFCEURSWAWIS-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.55
Rot. Bonds3

About 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene

1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene (PubChem CID 139928105) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene.

Molecular Properties

Compound Name1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene
PubChem CID139928105
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene
SMILESCCCc1ccc(C2=CCC(C(C)(C)C)=C2)c2ccccc12
InChIInChI=1S/C22H26/c1-5-8-16-12-14-20(21-10-7-6-9-19(16)21)17-11-13-18(15-17)22(2,3)4/h6-7,9-12,14-15H,5,8,13H2,1-4H3
InChIKeyQNJFCEURSWAWIS-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene?
The IUPAC name of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene (CID 139928105) is 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene.
What is the SMILES notation for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene?
The canonical SMILES for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene is CCCc1ccc(C2=CCC(C(C)(C)C)=C2)c2ccccc12.
What is the InChIKey of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene?
The InChIKey is QNJFCEURSWAWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-5-8-16-12-14-20(21-10-7-6-9-19(16)21)17-11-13-18(15-17)22(2,3)4/h6-7,9-12,14-15H,5,8,13H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene?
1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene has a molecular weight of 290.45 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene is sourced from PubChem (CID 139928105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).