ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate

C11H18O3 — CID 101147143

IUPACethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CC[C@@H]1[C@@H](CCO)[C@@H]1C(=O)OCC
InChIInChI=1S/C11H18O3/c1-3-5-8-9(6-7-12)10(8)11(13)14-4-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9-,10-/m1/s1
InChIKeyQXFQXTOFRTXFPJ-OPRDCNLKSA-N
MW198.26 g/mol
LogP1.37
Rot. Bonds6

About ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate

ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate (PubChem CID 101147143) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate
PubChem CID101147143
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CC[C@@H]1[C@@H](CCO)[C@@H]1C(=O)OCC
InChIInChI=1S/C11H18O3/c1-3-5-8-9(6-7-12)10(8)11(13)14-4-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9-,10-/m1/s1
InChIKeyQXFQXTOFRTXFPJ-OPRDCNLKSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
CID 102308215
ethyl 2,3-dihexylcyclopropane-1-carboxylate
CID 101157938
cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate
CID 11822694
ethyl 2,2-dimethyl-3-prop-2-enylcyclopropane-1-carboxylate
CID 588084
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
ethyl (1S,3aS,4S,5R,7aR)-1-ethenyl-5-(2-hydroxyethyl)-6-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 102207178
ethyl (2R,3S,4S)-2-butyl-4-ethenyl-5-hydroxyoxolane-3-carboxylate
CID 25058567
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
ethyl (1R,2R,3S)-2-methyl-3-pentylcyclopropane-1-carboxylate
CID 140932694
cis-diethyl (1R,2S)-3-[(dimethylamino)methyl]cyclopropane-1,2-dicarboxylate
CID 71480426
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate
CID 11043727

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate?
The IUPAC name of ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate (CID 101147143) is ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate is C=CC[C@@H]1[C@@H](CCO)[C@@H]1C(=O)OCC.
What is the InChIKey of ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate?
The InChIKey is QXFQXTOFRTXFPJ-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-5-8-9(6-7-12)10(8)11(13)14-4-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9-,10-/m1/s1.
What are the key properties of ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate?
ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate is sourced from PubChem (CID 101147143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).