1,2-dichloro-1-ethylcyclopropane

C5H8Cl2 — CID 54534885

IUPAC1,2-dichloro-1-ethylcyclopropane
SMILESCCC1(Cl)CC1Cl
InChIInChI=1S/C5H8Cl2/c1-2-5(7)3-4(5)6/h4H,2-3H2,1H3
InChIKeyYZBWBYRAQOMJOX-UHFFFAOYSA-N
MW139.03 g/mol
LogP2.39
Rot. Bonds1

About 1,2-dichloro-1-ethylcyclopropane

1,2-dichloro-1-ethylcyclopropane (PubChem CID 54534885) has the molecular formula C5H8Cl2 and a molecular weight of 139.03 g/mol. Its IUPAC name is 1,2-dichloro-1-ethylcyclopropane.

Molecular Properties

Compound Name1,2-dichloro-1-ethylcyclopropane
PubChem CID54534885
Molecular FormulaC5H8Cl2
Molecular Weight139.03 g/mol
Exact Mass138.00
IUPAC Name1,2-dichloro-1-ethylcyclopropane
SMILESCCC1(Cl)CC1Cl
InChIInChI=1S/C5H8Cl2/c1-2-5(7)3-4(5)6/h4H,2-3H2,1H3
InChIKeyYZBWBYRAQOMJOX-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.03
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1-ethylcyclopropane?
The IUPAC name of 1,2-dichloro-1-ethylcyclopropane (CID 54534885) is 1,2-dichloro-1-ethylcyclopropane.
What is the SMILES notation for 1,2-dichloro-1-ethylcyclopropane?
The canonical SMILES for 1,2-dichloro-1-ethylcyclopropane is CCC1(Cl)CC1Cl.
What is the InChIKey of 1,2-dichloro-1-ethylcyclopropane?
The InChIKey is YZBWBYRAQOMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2/c1-2-5(7)3-4(5)6/h4H,2-3H2,1H3.
What are the key properties of 1,2-dichloro-1-ethylcyclopropane?
1,2-dichloro-1-ethylcyclopropane has a molecular weight of 139.03 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-ethylcyclopropane is sourced from PubChem (CID 54534885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).