acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate

C14H18O6S — CID 67582617

IUPACacetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)Oc1cccs1.CC(=O)O
InChIInChI=1S/C8H8O2S.C4H6O2.C2H4O2/c1-6(2)8(9)10-7-4-3-5-11-7;1-3(2)4(5)6;1-2(3)4/h3-5H,1H2,2H3;1H2,2H3,(H,5,6);1H3,(H,3,4)
InChIKeyUCEGLZXIYOPGKO-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.97
Rot. Bonds3

About acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate

acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate (PubChem CID 67582617) has the molecular formula C14H18O6S and a molecular weight of 314.36 g/mol. Its IUPAC name is acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameacetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate
PubChem CID67582617
Molecular FormulaC14H18O6S
Molecular Weight314.36 g/mol
Exact Mass314.08
IUPAC Nameacetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)Oc1cccs1.CC(=O)O
InChIInChI=1S/C8H8O2S.C4H6O2.C2H4O2/c1-6(2)8(9)10-7-4-3-5-11-7;1-3(2)4(5)6;1-2(3)4/h3-5H,1H2,2H3;1H2,2H3,(H,5,6);1H3,(H,3,4)
InChIKeyUCEGLZXIYOPGKO-UHFFFAOYSA-N
XLogP2.97
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate?
The IUPAC name of acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate (CID 67582617) is acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate?
The canonical SMILES for acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)Oc1cccs1.CC(=O)O.
What is the InChIKey of acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate?
The InChIKey is UCEGLZXIYOPGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S.C4H6O2.C2H4O2/c1-6(2)8(9)10-7-4-3-5-11-7;1-3(2)4(5)6;1-2(3)4/h3-5H,1H2,2H3;1H2,2H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate?
acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate has a molecular weight of 314.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 67582617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).