2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene

C21H24 — CID 173021193

IUPAC2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene
SMILESC=CCC1C(C2=CCC=C2CCCC)=Cc2ccccc21
InChIInChI=1S/C21H24/c1-3-5-10-16-12-8-14-18(16)21-15-17-11-6-7-13-19(17)20(21)9-4-2/h4,6-7,11-15,20H,2-3,5,8-10H2,1H3
InChIKeyKSHWWTBPHQYRBO-UHFFFAOYSA-N
MW276.42 g/mol
LogP6.19
Rot. Bonds6

About 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene

2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene (PubChem CID 173021193) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene.

Molecular Properties

Compound Name2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene
PubChem CID173021193
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene
SMILESC=CCC1C(C2=CCC=C2CCCC)=Cc2ccccc21
InChIInChI=1S/C21H24/c1-3-5-10-16-12-8-14-18(16)21-15-17-11-6-7-13-19(17)20(21)9-4-2/h4,6-7,11-15,20H,2-3,5,8-10H2,1H3
InChIKeyKSHWWTBPHQYRBO-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;4-ethyl-2,4-dihydrocyclopenta[a]indene
CID 145481812
1-decyl-2-phenyl-1H-indene
CID 91542453
1-heptyl-2-phenyl-1H-indene
CID 91113646
9H-fluoren-9-yl-dimethyl-(1-prop-2-enyl-1H-inden-2-yl)silane
CID 56625000
2-butylcyclopenta-1,3-diene;1-prop-2-enyl-1,2-dihydroinden-2-ide;zirconium(4+);dichloride
CID 87088480
1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole
CID 21095736
[1-(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-1H-inden-2-yl]-dimethylphosphane
CID 90755243
1-methyl-2-(4-prop-2-enylcyclohexyl)benzene
CID 173416381
2-butylfluoren-1-one
CID 154133123
1,2-diethyl-1H-indene
CID 54262428
3-butyl-1-methoxy-1H-isochromene
CID 15544138
1-nonyl-4-prop-2-enylcyclohexene
CID 175939867

Frequently Asked Questions

What is the IUPAC name of 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene?
The IUPAC name of 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene (CID 173021193) is 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene.
What is the SMILES notation for 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene?
The canonical SMILES for 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene is C=CCC1C(C2=CCC=C2CCCC)=Cc2ccccc21.
What is the InChIKey of 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene?
The InChIKey is KSHWWTBPHQYRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-3-5-10-16-12-8-14-18(16)21-15-17-11-6-7-13-19(17)20(21)9-4-2/h4,6-7,11-15,20H,2-3,5,8-10H2,1H3.
What are the key properties of 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene?
2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene has a molecular weight of 276.42 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butylcyclopenta-1,4-dien-1-yl)-1-prop-2-enyl-1H-indene is sourced from PubChem (CID 173021193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).