ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate

C9H16O3 — CID 43811021

IUPACethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)C1OCC
InChIInChI=1S/C9H16O3/c1-4-11-8-6(3)7(8)9(10)12-5-2/h6-8H,4-5H2,1-3H3
InChIKeyBEEHYERTKDYDLR-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.22
Rot. Bonds4

About ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate

ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate (PubChem CID 43811021) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate
PubChem CID43811021
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)C1OCC
InChIInChI=1S/C9H16O3/c1-4-11-8-6(3)7(8)9(10)12-5-2/h6-8H,4-5H2,1-3H3
InChIKeyBEEHYERTKDYDLR-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
CID 102308215
ethyl (1R,2R,3S)-2-methyl-3-pentylcyclopropane-1-carboxylate
CID 140932694
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
ethyl (2S,3R)-3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 131632299
ethyl 3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 122519866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate (CID 43811021) is ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate is CCOC(=O)C1C(C)C1OCC.
What is the InChIKey of ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate?
The InChIKey is BEEHYERTKDYDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-11-8-6(3)7(8)9(10)12-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate?
ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 43811021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).