propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate

C8H12Cl2O2 — CID 15652393

IUPACpropan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1C(C)C1(Cl)Cl
InChIInChI=1S/C8H12Cl2O2/c1-4(2)12-7(11)6-5(3)8(6,9)10/h4-6H,1-3H3
InChIKeyJFFYDGAPRCIEIN-UHFFFAOYSA-N
MW211.09 g/mol
LogP2.38
Rot. Bonds2

About propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate

propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate (PubChem CID 15652393) has the molecular formula C8H12Cl2O2 and a molecular weight of 211.09 g/mol. Its IUPAC name is propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate
PubChem CID15652393
Molecular FormulaC8H12Cl2O2
Molecular Weight211.09 g/mol
Exact Mass210.02
IUPAC Namepropan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate
SMILESCC(C)OC(=O)C1C(C)C1(Cl)Cl
InChIInChI=1S/C8H12Cl2O2/c1-4(2)12-7(11)6-5(3)8(6,9)10/h4-6H,1-3H3
InChIKeyJFFYDGAPRCIEIN-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate?
The IUPAC name of propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate (CID 15652393) is propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate.
What is the SMILES notation for propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate?
The canonical SMILES for propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate is CC(C)OC(=O)C1C(C)C1(Cl)Cl.
What is the InChIKey of propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate?
The InChIKey is JFFYDGAPRCIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2O2/c1-4(2)12-7(11)6-5(3)8(6,9)10/h4-6H,1-3H3.
What are the key properties of propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate?
propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate has a molecular weight of 211.09 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 15652393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).