[(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate

C10H18O3 — CID 134931229

IUPAC[(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate
SMILESCCO[C@@H]1C[C@@H]1OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O3/c1-5-12-7-6-8(7)13-9(11)10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyMMXDXSDEFVDKSS-SFYZADRCSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds3

About [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate

[(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate (PubChem CID 134931229) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate
PubChem CID134931229
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate
SMILESCCO[C@@H]1C[C@@H]1OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O3/c1-5-12-7-6-8(7)13-9(11)10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyMMXDXSDEFVDKSS-SFYZADRCSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate?
The IUPAC name of [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate (CID 134931229) is [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate is CCO[C@@H]1C[C@@H]1OC(=O)C(C)(C)C.
What is the InChIKey of [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate?
The InChIKey is MMXDXSDEFVDKSS-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-12-7-6-8(7)13-9(11)10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate?
[(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-ethoxycyclopropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134931229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).