2-ethyl-5,5-dimethylcyclopenta-1,3-diene

C9H14 — CID 572140

IUPAC2-ethyl-5,5-dimethylcyclopenta-1,3-diene
SMILESCCC1=CC(C)(C)C=C1
InChIInChI=1S/C9H14/c1-4-8-5-6-9(2,3)7-8/h5-7H,4H2,1-3H3
InChIKeyMEEFWEAXJLBAKY-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About 2-ethyl-5,5-dimethylcyclopenta-1,3-diene

2-ethyl-5,5-dimethylcyclopenta-1,3-diene (PubChem CID 572140) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-ethyl-5,5-dimethylcyclopenta-1,3-diene
PubChem CID572140
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-ethyl-5,5-dimethylcyclopenta-1,3-diene
SMILESCCC1=CC(C)(C)C=C1
InChIInChI=1S/C9H14/c1-4-8-5-6-9(2,3)7-8/h5-7H,4H2,1-3H3
InChIKeyMEEFWEAXJLBAKY-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethylcyclopenta-1,3-diene?
The IUPAC name of 2-ethyl-5,5-dimethylcyclopenta-1,3-diene (CID 572140) is 2-ethyl-5,5-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-ethyl-5,5-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 2-ethyl-5,5-dimethylcyclopenta-1,3-diene is CCC1=CC(C)(C)C=C1.
What is the InChIKey of 2-ethyl-5,5-dimethylcyclopenta-1,3-diene?
The InChIKey is MEEFWEAXJLBAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-8-5-6-9(2,3)7-8/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-5,5-dimethylcyclopenta-1,3-diene?
2-ethyl-5,5-dimethylcyclopenta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 572140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).