2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate

C10H12O6 — CID 101194872

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C1CC(=O)O1
InChIInChI=1S/C10H12O6/c1-6(2)9(12)14-3-4-15-10(13)7-5-8(11)16-7/h7H,1,3-5H2,2H3
InChIKeyFZDJPSNGMRPVKX-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.04
Rot. Bonds5

About 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate

2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate (PubChem CID 101194872) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate
PubChem CID101194872
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C1CC(=O)O1
InChIInChI=1S/C10H12O6/c1-6(2)9(12)14-3-4-15-10(13)7-5-8(11)16-7/h7H,1,3-5H2,2H3
InChIKeyFZDJPSNGMRPVKX-UHFFFAOYSA-N
XLogP-0.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl (2R)-4-oxooxetane-2-carboxylate
CID 101158451
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736051
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 151718599
9-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylic acid
CID 88976206
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate
CID 22381518
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate (CID 101194872) is 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate is C=C(C)C(=O)OCCOC(=O)C1CC(=O)O1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate?
The InChIKey is FZDJPSNGMRPVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-6(2)9(12)14-3-4-15-10(13)7-5-8(11)16-7/h7H,1,3-5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate?
2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate has a molecular weight of 228.20 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate is sourced from PubChem (CID 101194872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).