oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate

C8H12O3 — CID 110189647

IUPACoxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC2CO2)CC1
InChIInChI=1S/C8H12O3/c1-8(2-3-8)7(9)11-5-6-4-10-6/h6H,2-5H2,1H3
InChIKeyDPFSHKAKXUERDX-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds3

About oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate

oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate (PubChem CID 110189647) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
PubChem CID110189647
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameoxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC2CO2)CC1
InChIInChI=1S/C8H12O3/c1-8(2-3-8)7(9)11-5-6-4-10-6/h6H,2-5H2,1H3
InChIKeyDPFSHKAKXUERDX-UHFFFAOYSA-N
XLogP0.73
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-methylcyclohexane-1-carboxylate
CID 54127614
bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate
CID 154293295
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
[(2R)-oxiran-2-yl]methyl adamantane-1-carboxylate
CID 915609
oxiran-2-ylmethyl 3-acetyloxypropanoate
CID 21339917
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid
CID 158404515
oxiran-2-ylmethyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethoxycarbonyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134446873
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate?
The IUPAC name of oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate (CID 110189647) is oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate?
The canonical SMILES for oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate is CC1(C(=O)OCC2CO2)CC1.
What is the InChIKey of oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate?
The InChIKey is DPFSHKAKXUERDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2-3-8)7(9)11-5-6-4-10-6/h6H,2-5H2,1H3.
What are the key properties of oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate?
oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 110189647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).