[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate

C11H16O4 — CID 10774888

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate
SMILESCC/C=C/C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C11H16O4/c1-4-5-6-8(12)15-9-10(13)14-7-11(9,2)3/h5-6,9H,4,7H2,1-3H3/b6-5+/t9-/m0/s1
InChIKeyXTURVOKDWRCRLG-CYNONHLPSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds3

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate (PubChem CID 10774888) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate
PubChem CID10774888
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate
SMILESCC/C=C/C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C11H16O4/c1-4-5-6-8(12)15-9-10(13)14-7-11(9,2)3/h5-6,9H,4,7H2,1-3H3/b6-5+/t9-/m0/s1
InChIKeyXTURVOKDWRCRLG-CYNONHLPSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
CID 2794997
(S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate
CID 737020
Acrylic acid 4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester
CID 3529221
[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-4-ethyl-2-fluorohex-2-enoate
CID 101176682
(4-acetyloxy-5-oxooxolan-3-yl)methyl (2E,6E)-4,5-diacetyloxyocta-2,6-dienoate
CID 10621604
[3-acetyloxy-2-(acetyloxymethyl)-4-methoxy-4-oxobutyl] (2E,6E)-4,5-diacetyloxyocta-2,6-dienoate
CID 10696286
[(3R)-4-methyl-2-oxooxolan-3-yl] but-2-enoate
CID 57306161
[2-(4,4-Dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 57760068
(4,4-Dimethyl-2-oxooxolan-3-yl) 4-prop-2-enoyloxypent-4-enoate
CID 68296787
4-O-[1-(3,3-dimethylbutanoyloxy)-1-oxopropan-2-yl] 1-O-methyl (Z)-but-2-enedioate
CID 87705873
4-O-[1-(3,3-dimethylbutanoyloxy)-1-oxopropan-2-yl] 1-O-ethyl (Z)-but-2-enedioate
CID 87705917
4-O-[1-(3,3-dimethylbutanoyloxy)-1-oxopropan-2-yl] 1-O-methyl (E)-but-2-enedioate
CID 87705978

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate (CID 10774888) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate is CC/C=C/C(=O)O[C@H]1C(=O)OCC1(C)C.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate?
The InChIKey is XTURVOKDWRCRLG-CYNONHLPSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-5-6-8(12)15-9-10(13)14-7-11(9,2)3/h5-6,9H,4,7H2,1-3H3/b6-5+/t9-/m0/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-pent-2-enoate is sourced from PubChem (CID 10774888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).