methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate

C9H10O5S — CID 88760395

IUPACmethyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate
SMILESCOC(=O)Oc1cc(OCC2CO2)cs1
InChIInChI=1S/C9H10O5S/c1-11-9(10)14-8-2-6(5-15-8)12-3-7-4-13-7/h2,5,7H,3-4H2,1H3
InChIKeyMOKBLYBKDWZTGU-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.67
Rot. Bonds4

About methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate

methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate (PubChem CID 88760395) has the molecular formula C9H10O5S and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate
PubChem CID88760395
Molecular FormulaC9H10O5S
Molecular Weight230.24 g/mol
Exact Mass230.02
IUPAC Namemethyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate
SMILESCOC(=O)Oc1cc(OCC2CO2)cs1
InChIInChI=1S/C9H10O5S/c1-11-9(10)14-8-2-6(5-15-8)12-3-7-4-13-7/h2,5,7H,3-4H2,1H3
InChIKeyMOKBLYBKDWZTGU-UHFFFAOYSA-N
XLogP1.67
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
bis[4-(oxiran-2-ylmethoxy)phenyl] 2,5-dimethoxybenzene-1,4-dicarboxylate
CID 101169142
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
CID 103132685
[4-(oxiran-2-ylmethoxy)phenyl] 2-methylbut-2-enoate
CID 174782278
bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
methyl 6-(oxiran-2-ylmethoxy)-1-benzofuran-2-carboxylate
CID 146098589
methyl 4-[[(2S)-oxiran-2-yl]methoxy]-2-(trifluoromethyl)benzoate
CID 118002356
N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 539751
bis[4-(oxiran-2-ylmethoxy)phenyl] 1,3,4-thiadiazole-2,5-dicarboxylate
CID 162782642
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
CID 11100457

Frequently Asked Questions

What is the IUPAC name of methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate?
The IUPAC name of methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate (CID 88760395) is methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate.
What is the SMILES notation for methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate?
The canonical SMILES for methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate is COC(=O)Oc1cc(OCC2CO2)cs1.
What is the InChIKey of methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate?
The InChIKey is MOKBLYBKDWZTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5S/c1-11-9(10)14-8-2-6(5-15-8)12-3-7-4-13-7/h2,5,7H,3-4H2,1H3.
What are the key properties of methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate?
methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate has a molecular weight of 230.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate is sourced from PubChem (CID 88760395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).