1-ethyl-3,4-dimethyl-3-propylcyclopentene

C12H22 — CID 123807172

IUPAC1-ethyl-3,4-dimethyl-3-propylcyclopentene
SMILESCCCC1(C)C=C(CC)CC1C
InChIInChI=1S/C12H22/c1-5-7-12(4)9-11(6-2)8-10(12)3/h9-10H,5-8H2,1-4H3
InChIKeyXTAVFJSGCGSEFR-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds3

About 1-ethyl-3,4-dimethyl-3-propylcyclopentene

1-ethyl-3,4-dimethyl-3-propylcyclopentene (PubChem CID 123807172) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethyl-3-propylcyclopentene.

Molecular Properties

Compound Name1-ethyl-3,4-dimethyl-3-propylcyclopentene
PubChem CID123807172
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethyl-3,4-dimethyl-3-propylcyclopentene
SMILESCCCC1(C)C=C(CC)CC1C
InChIInChI=1S/C12H22/c1-5-7-12(4)9-11(6-2)8-10(12)3/h9-10H,5-8H2,1-4H3
InChIKeyXTAVFJSGCGSEFR-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
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

1-ethyl-2,5-dimethyl-1-propylcyclopentane
CID 145269100
2,3-dimethyl-2-propyloxetane
CID 89191195
(1S,5R)-3-(aminomethyl)-1-(iodomethyl)-5-methylcyclopent-2-en-1-ol
CID 159631300
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-3,3-dimethylcyclohexene
CID 142138224
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
4-ethyl-1,2,3,6-tetramethyl-2-propylbicyclo[2.2.0]hexane
CID 123474375
1-ethyl-4-methyl-3-methylidenecyclopentene;propane
CID 143374354
4-ethyl-6-methylcyclohexa-1,3-dien-1-ol
CID 89168484
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethyl-3-propylcyclopentene?
The IUPAC name of 1-ethyl-3,4-dimethyl-3-propylcyclopentene (CID 123807172) is 1-ethyl-3,4-dimethyl-3-propylcyclopentene.
What is the SMILES notation for 1-ethyl-3,4-dimethyl-3-propylcyclopentene?
The canonical SMILES for 1-ethyl-3,4-dimethyl-3-propylcyclopentene is CCCC1(C)C=C(CC)CC1C.
What is the InChIKey of 1-ethyl-3,4-dimethyl-3-propylcyclopentene?
The InChIKey is XTAVFJSGCGSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-7-12(4)9-11(6-2)8-10(12)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-3,4-dimethyl-3-propylcyclopentene?
1-ethyl-3,4-dimethyl-3-propylcyclopentene has a molecular weight of 166.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethyl-3-propylcyclopentene is sourced from PubChem (CID 123807172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).