ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

C11H20O4 — CID 23078097

IUPACethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C(OC)OC)C1(C)C
InChIInChI=1S/C11H20O4/c1-6-15-9(12)7-8(11(7,2)3)10(13-4)14-5/h7-8,10H,6H2,1-5H3
InChIKeyQYNNGECXPQTRGS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.44
Rot. Bonds5

About ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 23078097) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID23078097
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C(OC)OC)C1(C)C
InChIInChI=1S/C11H20O4/c1-6-15-9(12)7-8(11(7,2)3)10(13-4)14-5/h7-8,10H,6H2,1-5H3
InChIKeyQYNNGECXPQTRGS-UHFFFAOYSA-N
XLogP1.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 23078097) is ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)C1C(C(OC)OC)C1(C)C.
What is the InChIKey of ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is QYNNGECXPQTRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-15-9(12)7-8(11(7,2)3)10(13-4)14-5/h7-8,10H,6H2,1-5H3.
What are the key properties of ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 23078097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).