1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene

C18H24 — CID 139812655

IUPAC1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene
SMILESCCCc1ccc(C2=CCC(C(C)CC)=C2)cc1
InChIInChI=1S/C18H24/c1-4-6-15-7-9-16(10-8-15)18-12-11-17(13-18)14(3)5-2/h7-10,12-14H,4-6,11H2,1-3H3
InChIKeyAWWUEMJVPZFMDH-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.40
Rot. Bonds5

About 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene

1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene (PubChem CID 139812655) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene.

Molecular Properties

Compound Name1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene
PubChem CID139812655
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene
SMILESCCCc1ccc(C2=CCC(C(C)CC)=C2)cc1
InChIInChI=1S/C18H24/c1-4-6-15-7-9-16(10-8-15)18-12-11-17(13-18)14(3)5-2/h7-10,12-14H,4-6,11H2,1-3H3
InChIKeyAWWUEMJVPZFMDH-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
CID 139812665
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
CID 144519167
1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
CID 139812660
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline
CID 143650432
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene?
The IUPAC name of 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene (CID 139812655) is 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene.
What is the SMILES notation for 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene?
The canonical SMILES for 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene is CCCc1ccc(C2=CCC(C(C)CC)=C2)cc1.
What is the InChIKey of 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene?
The InChIKey is AWWUEMJVPZFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-4-6-15-7-9-16(10-8-15)18-12-11-17(13-18)14(3)5-2/h7-10,12-14H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene?
1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene has a molecular weight of 240.39 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylcyclopenta-1,4-dien-1-yl)-4-propylbenzene is sourced from PubChem (CID 139812655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).