2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate

C10H10O4S — CID 20673042

IUPAC2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
SMILESC=C(C)C(=O)OCOC(=O)c1cccs1
InChIInChI=1S/C10H10O4S/c1-7(2)9(11)13-6-14-10(12)8-4-3-5-15-8/h3-5H,1,6H2,2H3
InChIKeySABXETXGFJZNAQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.98
Rot. Bonds4

About 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate

2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate (PubChem CID 20673042) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
PubChem CID20673042
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
SMILESC=C(C)C(=O)OCOC(=O)c1cccs1
InChIInChI=1S/C10H10O4S/c1-7(2)9(11)13-6-14-10(12)8-4-3-5-15-8/h3-5H,1,6H2,2H3
InChIKeySABXETXGFJZNAQ-UHFFFAOYSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylprop-2-enoyloxy)butyl thiophene-2-carboxylate
CID 21182205
aminomethyl thiophene-2-carboxylate
CID 142796710
2-(2-methylprop-2-enoyloxy)ethyl 5-[5-[5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl thiophene-2-carboxylate;thiophene;trichloroiron
CID 160861948
2-sulfanylethyl thiophene-2-carboxylate
CID 175040305
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
3-(thiophene-2-carbonyloxy)propanoic acid
CID 138555972
heptyl thiophene-2-carboxylate
CID 574115
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate
CID 171762676
2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate
CID 129174161
2-thiophen-2-ylbutyl 2-methylprop-2-enoate
CID 56999397
bis(acetyloxymethyl 2-methylprop-2-enoate);toluene
CID 158484803

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate?
The IUPAC name of 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate (CID 20673042) is 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate.
What is the SMILES notation for 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate?
The canonical SMILES for 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate is C=C(C)C(=O)OCOC(=O)c1cccs1.
What is the InChIKey of 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate?
The InChIKey is SABXETXGFJZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-7(2)9(11)13-6-14-10(12)8-4-3-5-15-8/h3-5H,1,6H2,2H3.
What are the key properties of 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate?
2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate has a molecular weight of 226.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate is sourced from PubChem (CID 20673042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).