2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene

C17H23+ — CID 136862043

IUPAC2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
SMILESCCC1=C[CH+]C=C1C(C)(C)C1=C(CC)C=CC1
InChIInChI=1S/C17H23/c1-5-13-9-7-11-15(13)17(3,4)16-12-8-10-14(16)6-2/h7-11H,5-6,12H2,1-4H3/q+1
InChIKeyWIVACSSEDWGGNU-UHFFFAOYSA-N
MW227.37 g/mol
LogP5.16
Rot. Bonds4

About 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene

2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene (PubChem CID 136862043) has the molecular formula C17H23+ and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
PubChem CID136862043
Molecular FormulaC17H23+
Molecular Weight227.37 g/mol
Exact Mass227.18
IUPAC Name2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
SMILESCCC1=C[CH+]C=C1C(C)(C)C1=C(CC)C=CC1
InChIInChI=1S/C17H23/c1-5-13-9-7-11-15(13)17(3,4)16-12-8-10-14(16)6-2/h7-11H,5-6,12H2,1-4H3/q+1
InChIKeyWIVACSSEDWGGNU-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene with MolForge

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Related Compounds

2-ethyl-1-[(2-ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 19381548
[1-(2-ethylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140630327
CID 161173679
CID 161173679
4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene
CID 123687137
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
CID 19936951
(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene
CID 162785526
3-tert-butyl-4-ethyl-2H-pyrrole
CID 161392549
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol;zirconium
CID 19936950
ditert-butyl-[[2-[phosphanyl-di(pyrimidin-2-yl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phosphane
CID 162207700
2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene
CID 19033036

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
The IUPAC name of 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene (CID 136862043) is 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene.
What is the SMILES notation for 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
The canonical SMILES for 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene is CCC1=C[CH+]C=C1C(C)(C)C1=C(CC)C=CC1.
What is the InChIKey of 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
The InChIKey is WIVACSSEDWGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23/c1-5-13-9-7-11-15(13)17(3,4)16-12-8-10-14(16)6-2/h7-11H,5-6,12H2,1-4H3/q+1.
What are the key properties of 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene has a molecular weight of 227.37 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(2-ethylcyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene is sourced from PubChem (CID 136862043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).