1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane

C7H12Cl2O — CID 12648791

IUPAC1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane
SMILESCOCCC1(C)CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-6(3-4-10-2)5-7(6,8)9/h3-5H2,1-2H3
InChIKeyMEVPEDLNYQPRPV-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.61
Rot. Bonds3

About 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane

1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane (PubChem CID 12648791) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane
PubChem CID12648791
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane
SMILESCOCCC1(C)CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-6(3-4-10-2)5-7(6,8)9/h3-5H2,1-2H3
InChIKeyMEVPEDLNYQPRPV-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-methoxyethyl)-2-methylcyclopropane?
The IUPAC name of 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane (CID 12648791) is 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane.
What is the SMILES notation for 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane?
The canonical SMILES for 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane is COCCC1(C)CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane?
The InChIKey is MEVPEDLNYQPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-6(3-4-10-2)5-7(6,8)9/h3-5H2,1-2H3.
What are the key properties of 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane?
1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane has a molecular weight of 183.08 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-(2-methoxyethyl)-2-methylcyclopropane is sourced from PubChem (CID 12648791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).