trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate

C8H12O3 — CID 130734937

IUPACtrans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
SMILESC[C@H]1C[C@@H]1C(=O)OC1COC1
InChIInChI=1S/C8H12O3/c1-5-2-7(5)8(9)11-6-3-10-4-6/h5-7H,2-4H2,1H3/t5-,7-/m0/s1
InChIKeyJURBUUUKJNCQMY-FSPLSTOPSA-N
MW156.18 g/mol
LogP0.58
Rot. Bonds2

About trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate

trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate (PubChem CID 130734937) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
PubChem CID130734937
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nametrans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
SMILESC[C@H]1C[C@@H]1C(=O)OC1COC1
InChIInChI=1S/C8H12O3/c1-5-2-7(5)8(9)11-6-3-10-4-6/h5-7H,2-4H2,1H3/t5-,7-/m0/s1
InChIKeyJURBUUUKJNCQMY-FSPLSTOPSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxetan-3-yl 2-methylpiperidine-4-carboxylate
CID 106743823
thiolan-3-yl 2-methylcyclopropane-1-carboxylate
CID 130708259
cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 124835796
(2,6-dimethyloxan-4-yl) 4-aminooxolane-3-carboxylate
CID 113369243
1,3-dioxan-5-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 23561075
(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
CID 66239919
oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
CID 170767880
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
4-methyloxolane-3-carboxylic acid
CID 83669962
oxetan-3-yl 2-bromopropanoate
CID 119054235
trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide
CID 130673406
2-methyl-N-[(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]cyclopropane-1-carboxamide
CID 130688581

Frequently Asked Questions

What is the IUPAC name of trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate (CID 130734937) is trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate is C[C@H]1C[C@@H]1C(=O)OC1COC1.
What is the InChIKey of trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate?
The InChIKey is JURBUUUKJNCQMY-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-2-7(5)8(9)11-6-3-10-4-6/h5-7H,2-4H2,1H3/t5-,7-/m0/s1.
What are the key properties of trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate?
trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 130734937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).