2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene

C18H24 — CID 139712973

IUPAC2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene
SMILESCCCC(C1=CC=CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H24/c1-5-8-17(16-9-6-7-10-16)18-14(3)11-13(2)12-15(18)4/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyZYBIWGCDUWODTH-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.38
Rot. Bonds4

About 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene

2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene (PubChem CID 139712973) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene
PubChem CID139712973
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene
SMILESCCCC(C1=CC=CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H24/c1-5-8-17(16-9-6-7-10-16)18-14(3)11-13(2)12-15(18)4/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyZYBIWGCDUWODTH-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
CID 173316758
2-(1-bromo-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987727
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987069
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
ethane;2-methylpropane-2-thiol;1,3,5-trimethyl-2-pentan-2-ylbenzene;hydrate
CID 142531600
1-(2,4,6-trimethylphenyl)butylhydrazine
CID 105282251
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene
CID 142904411
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
CID 22947162

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene (CID 139712973) is 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene is CCCC(C1=CC=CC1)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene?
The InChIKey is ZYBIWGCDUWODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-5-8-17(16-9-6-7-10-16)18-14(3)11-13(2)12-15(18)4/h6-7,9,11-12,17H,5,8,10H2,1-4H3.
What are the key properties of 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene?
2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene has a molecular weight of 240.39 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 139712973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).