propan-2-yl cyclopropanecarboxylate

C7H12O2 — CID 550170

IUPACpropan-2-yl cyclopropanecarboxylate
SMILESCC(C)OC(=O)C1CC1
InChIInChI=1S/C7H12O2/c1-5(2)9-7(8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyQEYGAMYURHNUMI-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.35
Rot. Bonds2

About propan-2-yl cyclopropanecarboxylate

propan-2-yl cyclopropanecarboxylate (PubChem CID 550170) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is propan-2-yl cyclopropanecarboxylate.

Molecular Properties

Compound Namepropan-2-yl cyclopropanecarboxylate
PubChem CID550170
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namepropan-2-yl cyclopropanecarboxylate
SMILESCC(C)OC(=O)C1CC1
InChIInChI=1S/C7H12O2/c1-5(2)9-7(8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyQEYGAMYURHNUMI-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl cyclopropanecarboxylate?
The IUPAC name of propan-2-yl cyclopropanecarboxylate (CID 550170) is propan-2-yl cyclopropanecarboxylate.
What is the SMILES notation for propan-2-yl cyclopropanecarboxylate?
The canonical SMILES for propan-2-yl cyclopropanecarboxylate is CC(C)OC(=O)C1CC1.
What is the InChIKey of propan-2-yl cyclopropanecarboxylate?
The InChIKey is QEYGAMYURHNUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)9-7(8)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of propan-2-yl cyclopropanecarboxylate?
propan-2-yl cyclopropanecarboxylate has a molecular weight of 128.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl cyclopropanecarboxylate is sourced from PubChem (CID 550170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).