1-ethyl-2-methylcyclopenta-1,3-diene

C8H12 — CID 18355720

IUPAC1-ethyl-2-methylcyclopenta-1,3-diene
SMILESCCC1=C(C)C=CC1
InChIInChI=1S/C8H12/c1-3-8-6-4-5-7(8)2/h4-5H,3,6H2,1-2H3
InChIKeyQNTULMJTSNDUED-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds1

About 1-ethyl-2-methylcyclopenta-1,3-diene

1-ethyl-2-methylcyclopenta-1,3-diene (PubChem CID 18355720) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-ethyl-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-ethyl-2-methylcyclopenta-1,3-diene
PubChem CID18355720
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-ethyl-2-methylcyclopenta-1,3-diene
SMILESCCC1=C(C)C=CC1
InChIInChI=1S/C8H12/c1-3-8-6-4-5-7(8)2/h4-5H,3,6H2,1-2H3
InChIKeyQNTULMJTSNDUED-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylcyclopenta-1,3-diene?
The IUPAC name of 1-ethyl-2-methylcyclopenta-1,3-diene (CID 18355720) is 1-ethyl-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-ethyl-2-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-ethyl-2-methylcyclopenta-1,3-diene is CCC1=C(C)C=CC1.
What is the InChIKey of 1-ethyl-2-methylcyclopenta-1,3-diene?
The InChIKey is QNTULMJTSNDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-8-6-4-5-7(8)2/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-2-methylcyclopenta-1,3-diene?
1-ethyl-2-methylcyclopenta-1,3-diene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 18355720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).