1-ethyl-1,2-dimethylcyclopropane

C7H14 — CID 524629

IUPAC1-ethyl-1,2-dimethylcyclopropane
SMILESCCC1(C)CC1C
InChIInChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3
InChIKeyWXMIMRAMKPIMFS-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds1

About 1-ethyl-1,2-dimethylcyclopropane

1-ethyl-1,2-dimethylcyclopropane (PubChem CID 524629) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-ethyl-1,2-dimethylcyclopropane
PubChem CID524629
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name1-ethyl-1,2-dimethylcyclopropane
SMILESCCC1(C)CC1C
InChIInChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3
InChIKeyWXMIMRAMKPIMFS-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dimethylcyclopropane?
The IUPAC name of 1-ethyl-1,2-dimethylcyclopropane (CID 524629) is 1-ethyl-1,2-dimethylcyclopropane.
What is the SMILES notation for 1-ethyl-1,2-dimethylcyclopropane?
The canonical SMILES for 1-ethyl-1,2-dimethylcyclopropane is CCC1(C)CC1C.
What is the InChIKey of 1-ethyl-1,2-dimethylcyclopropane?
The InChIKey is WXMIMRAMKPIMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-1,2-dimethylcyclopropane?
1-ethyl-1,2-dimethylcyclopropane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethylcyclopropane is sourced from PubChem (CID 524629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).