2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate

C11H16O5 — CID 159532508

IUPAC2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC1CCCO1
InChIInChI=1S/C7H10O3.C4H6O2/c1-2-6(8)10-7-4-3-5-9-7;1-3(2)4(5)6/h2,7H,1,3-5H2;1H2,2H3,(H,5,6)
InChIKeyMDEHGZHPNASIEQ-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.50
Rot. Bonds3

About 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate

2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate (PubChem CID 159532508) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
PubChem CID159532508
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC1CCCO1
InChIInChI=1S/C7H10O3.C4H6O2/c1-2-6(8)10-7-4-3-5-9-7;1-3(2)4(5)6/h2,7H,1,3-5H2;1H2,2H3,(H,5,6)
InChIKeyMDEHGZHPNASIEQ-UHFFFAOYSA-N
XLogP1.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
2-methyl-4-(oxan-2-yloxycarbonyl)penta-2,4-dienoic acid
CID 131986537
oxolan-2-yl 2-methylprop-2-eneperoxoate
CID 141130125
morpholin-2-yl prop-2-enoate
CID 22497789
[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate
CID 146262842
2,2-dimethyl-3-[3-oxo-3-(oxolan-2-yloxy)prop-1-enyl]cyclopropane-1-carboxylic acid
CID 70395182
(3-methyloxolan-2-yl) prop-2-enoate
CID 152547520
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate
CID 151095548
cyclohexane-1,4-diol;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 66888079
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229836

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate (CID 159532508) is 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate is C=C(C)C(=O)O.C=CC(=O)OC1CCCO1.
What is the InChIKey of 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate?
The InChIKey is MDEHGZHPNASIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H6O2/c1-2-6(8)10-7-4-3-5-9-7;1-3(2)4(5)6/h2,7H,1,3-5H2;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate?
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate is sourced from PubChem (CID 159532508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).