1-ethyl-2,4-dimethylcyclopentene

C9H16 — CID 123584374

IUPAC1-ethyl-2,4-dimethylcyclopentene
SMILESCCC1=C(C)CC(C)C1
InChIInChI=1S/C9H16/c1-4-9-6-7(2)5-8(9)3/h7H,4-6H2,1-3H3
InChIKeyGZLNKGWBVLPTHR-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds1

About 1-ethyl-2,4-dimethylcyclopentene

1-ethyl-2,4-dimethylcyclopentene (PubChem CID 123584374) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethylcyclopentene.

Molecular Properties

Compound Name1-ethyl-2,4-dimethylcyclopentene
PubChem CID123584374
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-ethyl-2,4-dimethylcyclopentene
SMILESCCC1=C(C)CC(C)C1
InChIInChI=1S/C9H16/c1-4-9-6-7(2)5-8(9)3/h7H,4-6H2,1-3H3
InChIKeyGZLNKGWBVLPTHR-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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

(1S)-3-ethyl-4-methylcyclopent-3-en-1-ol
CID 67576321
1,2-diethyl-4,5-dimethylcyclohexene
CID 74022411
1,2,4,4,6-pentamethylcycloheptene
CID 91222128
1,4-dimethyl-2-pentylcyclohexene
CID 175171026
ethyl 2,4-dimethyl-6-oxocyclohexene-1-carboxylate
CID 67159177
1,2,3,5-tetramethylcyclohexene
CID 12751060
3,4-diethyl-6-methylcyclohex-3-en-1-one
CID 59163895
5-ethyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070312
3-ethyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 71370160
methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
CID 58200009
6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol
CID 145284011
1,3,5,6-tetramethyl-3,4-dihydro-2H-pyridine
CID 137423387

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethylcyclopentene?
The IUPAC name of 1-ethyl-2,4-dimethylcyclopentene (CID 123584374) is 1-ethyl-2,4-dimethylcyclopentene.
What is the SMILES notation for 1-ethyl-2,4-dimethylcyclopentene?
The canonical SMILES for 1-ethyl-2,4-dimethylcyclopentene is CCC1=C(C)CC(C)C1.
What is the InChIKey of 1-ethyl-2,4-dimethylcyclopentene?
The InChIKey is GZLNKGWBVLPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-9-6-7(2)5-8(9)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-2,4-dimethylcyclopentene?
1-ethyl-2,4-dimethylcyclopentene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethylcyclopentene is sourced from PubChem (CID 123584374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).