2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid

C11H18O5 — CID 174765174

IUPAC2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid
SMILESC1CCOC1.C=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H6O2.C4H8O.C3H4O2/c1-3(2)4(5)6;1-2-4-5-3-1;1-2-3(4)5/h1H2,2H3,(H,5,6);1-4H2;2H,1H2,(H,4,5)
InChIKeyGZUUXVMUUSXAQT-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.70
Rot. Bonds2

About 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid

2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid (PubChem CID 174765174) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid
PubChem CID174765174
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid
SMILESC1CCOC1.C=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H6O2.C4H8O.C3H4O2/c1-3(2)4(5)6;1-2-4-5-3-1;1-2-3(4)5/h1H2,2H3,(H,5,6);1-4H2;2H,1H2,(H,4,5)
InChIKeyGZUUXVMUUSXAQT-UHFFFAOYSA-N
XLogP1.70
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
CID 173358641
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
2-hydroxyprop-2-enoic acid;oxolane
CID 174891216
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
cyclohexane-1,4-diol;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 66888079
oxolane;propan-2-one
CID 22559816
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
CID 162080940
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
2-methylprop-2-enoic acid;prop-2-enoic acid;tricyclo[5.2.1.02,6]decane
CID 67176936

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid (CID 174765174) is 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid is C1CCOC1.C=C(C)C(=O)O.C=CC(=O)O.
What is the InChIKey of 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid?
The InChIKey is GZUUXVMUUSXAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C4H8O.C3H4O2/c1-3(2)4(5)6;1-2-4-5-3-1;1-2-3(4)5/h1H2,2H3,(H,5,6);1-4H2;2H,1H2,(H,4,5).
What are the key properties of 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid?
2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid is sourced from PubChem (CID 174765174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).