1,1-dichloro-2-propa-1,2-dienylcyclopropane

C6H6Cl2 — CID 134977576

IUPAC1,1-dichloro-2-propa-1,2-dienylcyclopropane
SMILESC=C=CC1CC1(Cl)Cl
InChIInChI=1S/C6H6Cl2/c1-2-3-5-4-6(5,7)8/h3,5H,1,4H2
InChIKeyAVYKZOGIPNNDIE-UHFFFAOYSA-N
MW149.02 g/mol
LogP2.52
Rot. Bonds1

About 1,1-dichloro-2-propa-1,2-dienylcyclopropane

1,1-dichloro-2-propa-1,2-dienylcyclopropane (PubChem CID 134977576) has the molecular formula C6H6Cl2 and a molecular weight of 149.02 g/mol. Its IUPAC name is 1,1-dichloro-2-propa-1,2-dienylcyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-propa-1,2-dienylcyclopropane
PubChem CID134977576
Molecular FormulaC6H6Cl2
Molecular Weight149.02 g/mol
Exact Mass147.98
IUPAC Name1,1-dichloro-2-propa-1,2-dienylcyclopropane
SMILESC=C=CC1CC1(Cl)Cl
InChIInChI=1S/C6H6Cl2/c1-2-3-5-4-6(5,7)8/h3,5H,1,4H2
InChIKeyAVYKZOGIPNNDIE-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.02
LogP ≤ 52.52
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 1,1-dichloro-2-propa-1,2-dienylcyclopropane?
The IUPAC name of 1,1-dichloro-2-propa-1,2-dienylcyclopropane (CID 134977576) is 1,1-dichloro-2-propa-1,2-dienylcyclopropane.
What is the SMILES notation for 1,1-dichloro-2-propa-1,2-dienylcyclopropane?
The canonical SMILES for 1,1-dichloro-2-propa-1,2-dienylcyclopropane is C=C=CC1CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-propa-1,2-dienylcyclopropane?
The InChIKey is AVYKZOGIPNNDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2/c1-2-3-5-4-6(5,7)8/h3,5H,1,4H2.
What are the key properties of 1,1-dichloro-2-propa-1,2-dienylcyclopropane?
1,1-dichloro-2-propa-1,2-dienylcyclopropane has a molecular weight of 149.02 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-propa-1,2-dienylcyclopropane is sourced from PubChem (CID 134977576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).