1,1-bis(chloromethyl)-2-ethylcyclopropane

C7H12Cl2 — CID 173216544

IUPAC1,1-bis(chloromethyl)-2-ethylcyclopropane
SMILESCCC1CC1(CCl)CCl
InChIInChI=1S/C7H12Cl2/c1-2-6-3-7(6,4-8)5-9/h6H,2-5H2,1H3
InChIKeyCMDYSNLQGQXVDF-UHFFFAOYSA-N
MW167.08 g/mol
LogP2.88
Rot. Bonds3

About 1,1-bis(chloromethyl)-2-ethylcyclopropane

1,1-bis(chloromethyl)-2-ethylcyclopropane (PubChem CID 173216544) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 1,1-bis(chloromethyl)-2-ethylcyclopropane.

Molecular Properties

Compound Name1,1-bis(chloromethyl)-2-ethylcyclopropane
PubChem CID173216544
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name1,1-bis(chloromethyl)-2-ethylcyclopropane
SMILESCCC1CC1(CCl)CCl
InChIInChI=1S/C7H12Cl2/c1-2-6-3-7(6,4-8)5-9/h6H,2-5H2,1H3
InChIKeyCMDYSNLQGQXVDF-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 52.88
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-bis(chloromethyl)-2-ethylcyclopropane?
The IUPAC name of 1,1-bis(chloromethyl)-2-ethylcyclopropane (CID 173216544) is 1,1-bis(chloromethyl)-2-ethylcyclopropane.
What is the SMILES notation for 1,1-bis(chloromethyl)-2-ethylcyclopropane?
The canonical SMILES for 1,1-bis(chloromethyl)-2-ethylcyclopropane is CCC1CC1(CCl)CCl.
What is the InChIKey of 1,1-bis(chloromethyl)-2-ethylcyclopropane?
The InChIKey is CMDYSNLQGQXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c1-2-6-3-7(6,4-8)5-9/h6H,2-5H2,1H3.
What are the key properties of 1,1-bis(chloromethyl)-2-ethylcyclopropane?
1,1-bis(chloromethyl)-2-ethylcyclopropane has a molecular weight of 167.08 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(chloromethyl)-2-ethylcyclopropane is sourced from PubChem (CID 173216544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).