trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate

C8H12O4 — CID 11423844

IUPACtrans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1OC(C)=O
InChIInChI=1S/C8H12O4/c1-3-11-8(10)6-4-7(6)12-5(2)9/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyUWYCEOHZDOYNHX-RNFRBKRXSA-N
MW172.18 g/mol
LogP0.50
Rot. Bonds3

About trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate (PubChem CID 11423844) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
PubChem CID11423844
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Nametrans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1OC(C)=O
InChIInChI=1S/C8H12O4/c1-3-11-8(10)6-4-7(6)12-5(2)9/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyUWYCEOHZDOYNHX-RNFRBKRXSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-5-acetyloxy-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131734831
trans-ethyl (1R,2R)-2-acetyloxycyclohexane-1-carboxylate
CID 101255181
ethyl 2-acetylcyclopropane-1-carboxylate
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cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
CID 134969081
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane
CID 162086947
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate
CID 57172970
ethyl (1S,2R,3S,4R)-3,4-diacetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 135018673
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate (CID 11423844) is trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1OC(C)=O.
What is the InChIKey of trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate?
The InChIKey is UWYCEOHZDOYNHX-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-11-8(10)6-4-7(6)12-5(2)9/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate has a molecular weight of 172.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 11423844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).