1,1-dichloro-2-methyl-3-propylcyclopropane

C7H12Cl2 — CID 13285011

IUPAC1,1-dichloro-2-methyl-3-propylcyclopropane
SMILESCCCC1C(C)C1(Cl)Cl
InChIInChI=1S/C7H12Cl2/c1-3-4-6-5(2)7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyLFEHHTBOXFYRBJ-UHFFFAOYSA-N
MW167.08 g/mol
LogP3.23
Rot. Bonds2

About 1,1-dichloro-2-methyl-3-propylcyclopropane

1,1-dichloro-2-methyl-3-propylcyclopropane (PubChem CID 13285011) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 1,1-dichloro-2-methyl-3-propylcyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-methyl-3-propylcyclopropane
PubChem CID13285011
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name1,1-dichloro-2-methyl-3-propylcyclopropane
SMILESCCCC1C(C)C1(Cl)Cl
InChIInChI=1S/C7H12Cl2/c1-3-4-6-5(2)7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyLFEHHTBOXFYRBJ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 53.23
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-methyl-3-propylcyclopropane?
The IUPAC name of 1,1-dichloro-2-methyl-3-propylcyclopropane (CID 13285011) is 1,1-dichloro-2-methyl-3-propylcyclopropane.
What is the SMILES notation for 1,1-dichloro-2-methyl-3-propylcyclopropane?
The canonical SMILES for 1,1-dichloro-2-methyl-3-propylcyclopropane is CCCC1C(C)C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-methyl-3-propylcyclopropane?
The InChIKey is LFEHHTBOXFYRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c1-3-4-6-5(2)7(6,8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1-dichloro-2-methyl-3-propylcyclopropane?
1,1-dichloro-2-methyl-3-propylcyclopropane has a molecular weight of 167.08 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-methyl-3-propylcyclopropane is sourced from PubChem (CID 13285011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).