cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate

C13H22O4 — CID 21631979

IUPACcis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1CCOC2CCCCO2
InChIInChI=1S/C13H22O4/c1-2-15-13(14)11-9-10(11)6-8-17-12-5-3-4-7-16-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m1/s1
InChIKeyLEKXNVLWEZGNAN-XFKKCKKNSA-N
MW242.31 g/mol
LogP1.90
Rot. Bonds7

About cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate (PubChem CID 21631979) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
PubChem CID21631979
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namecis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1CCOC2CCCCO2
InChIInChI=1S/C13H22O4/c1-2-15-13(14)11-9-10(11)6-8-17-12-5-3-4-7-16-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m1/s1
InChIKeyLEKXNVLWEZGNAN-XFKKCKKNSA-N
XLogP1.90
TPSA44.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3,5-dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)-hexanoate
CID 129866516
Propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate
CID 14214409
methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate
CID 24814758
Methyl 5-(oxan-2-yloxymethyl)spiro[2.2]pentane-2-carboxylate
CID 134854861
(6-Oxo-3-pentyloxan-2-yl) acetate
CID 277318
Methyl 2-ethyl-5,5-dimethoxypentanoate
CID 11030935
Methyl 4-dimethoxymethyl-hexanoate
CID 12952916
Ethyl 4-(diethoxymethyl)hexanoate
CID 12952917
Ethyl 2-methyl-6-[(oxan-2-yl)oxy]hexanoate
CID 14115333
Methyl 4-(1,3-dioxolan-2-yl)hexanoate
CID 15014807
Ethyl 2-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)cyclopropanecarboxylate
CID 15450926
4-(Diethoxymethyl)-2-methylhexanoic acid
CID 18716741

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate (CID 21631979) is cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1CCOC2CCCCO2.
What is the InChIKey of cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
The InChIKey is LEKXNVLWEZGNAN-XFKKCKKNSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-15-13(14)11-9-10(11)6-8-17-12-5-3-4-7-16-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 21631979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).