1,3-diethylcyclopropene

C7H12 — CID 123321183

IUPAC1,3-diethylcyclopropene
SMILESCCC1=CC1CC
InChIInChI=1S/C7H12/c1-3-6-5-7(6)4-2/h5-6H,3-4H2,1-2H3
InChIKeyDCJUYFRIYDJYPY-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds2

About 1,3-diethylcyclopropene

1,3-diethylcyclopropene (PubChem CID 123321183) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1,3-diethylcyclopropene.

Molecular Properties

Compound Name1,3-diethylcyclopropene
PubChem CID123321183
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1,3-diethylcyclopropene
SMILESCCC1=CC1CC
InChIInChI=1S/C7H12/c1-3-6-5-7(6)4-2/h5-6H,3-4H2,1-2H3
InChIKeyDCJUYFRIYDJYPY-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.36
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

CID 19974
CID 19974
CID 11572
CID 11572
CID 79095
CID 79095
CID 86014
CID 86014
CID 144440
CID 144440
CID 519449
CID 519449
CID 519788
CID 519788
CID 11322496
CID 11322496
CID 13745740
CID 13745740
CID 520362
CID 520362
CID 89185
CID 89185
CID 534956
CID 534956

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclopropene?
The IUPAC name of 1,3-diethylcyclopropene (CID 123321183) is 1,3-diethylcyclopropene.
What is the SMILES notation for 1,3-diethylcyclopropene?
The canonical SMILES for 1,3-diethylcyclopropene is CCC1=CC1CC.
What is the InChIKey of 1,3-diethylcyclopropene?
The InChIKey is DCJUYFRIYDJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-3-6-5-7(6)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-diethylcyclopropene?
1,3-diethylcyclopropene has a molecular weight of 96.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclopropene is sourced from PubChem (CID 123321183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).