(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate

C13H16O6 — CID 70669312

IUPAC(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
SMILESC=C(C)C(=O)OC1CC(C(=O)OC2CCOC2=O)C1
InChIInChI=1S/C13H16O6/c1-7(2)11(14)18-9-5-8(6-9)12(15)19-10-3-4-17-13(10)16/h8-10H,1,3-6H2,2H3
InChIKeyTVDSVLGWOLVLMR-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.74
Rot. Bonds4

About (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate

(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate (PubChem CID 70669312) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
PubChem CID70669312
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
SMILESC=C(C)C(=O)OC1CC(C(=O)OC2CCOC2=O)C1
InChIInChI=1S/C13H16O6/c1-7(2)11(14)18-9-5-8(6-9)12(15)19-10-3-4-17-13(10)16/h8-10H,1,3-6H2,2H3
InChIKeyTVDSVLGWOLVLMR-UHFFFAOYSA-N
XLogP0.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate (CID 70669312) is (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate is C=C(C)C(=O)OC1CC(C(=O)OC2CCOC2=O)C1.
What is the InChIKey of (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate?
The InChIKey is TVDSVLGWOLVLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-7(2)11(14)18-9-5-8(6-9)12(15)19-10-3-4-17-13(10)16/h8-10H,1,3-6H2,2H3.
What are the key properties of (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate?
(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate has a molecular weight of 268.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate is sourced from PubChem (CID 70669312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).