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

C13H20O4 — CID 11287907

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate
SMILESC/C(=C\C(C)C)C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C13H20O4/c1-8(2)6-9(3)11(14)17-10-12(15)16-7-13(10,4)5/h6,8,10H,7H2,1-5H3/b9-6+/t10-/m0/s1
InChIKeyXPCWXIFEYPOJHB-ZKXNXJMVSA-N
MW240.30 g/mol
LogP2.08
Rot. Bonds3

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

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate (PubChem CID 11287907) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate
PubChem CID11287907
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate
SMILESC/C(=C\C(C)C)C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C13H20O4/c1-8(2)6-9(3)11(14)17-10-12(15)16-7-13(10,4)5/h6,8,10H,7H2,1-5H3/b9-6+/t10-/m0/s1
InChIKeyXPCWXIFEYPOJHB-ZKXNXJMVSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate with MolForge

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Related Compounds

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-bromo-3-methylbutanoate
CID 15517932
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2S)-2-bromo-3,3-dimethylbutanoate
CID 11109577
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (Z)-2-bromohex-3-enoate
CID 134988547
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-diazo-3-oxohept-6-enoate
CID 135439481
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane
CID 144704866
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-bromo-4-cyclohexylbutanoate
CID 10832415
4-O-(4,4-dimethyl-2-oxooxolan-3-yl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 59616357
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 15864456
(4,4-dimethyl-2-oxooxolan-3-yl) 2-[bis(2-methylprop-2-enoxy)phosphoryl]-2-diazoacetate
CID 74028656
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-3-triphenylstannylprop-2-enoate
CID 10626115
1,4-bis[(4,4-dimethyl-2-oxooxolan-3-yl)oxy]-1,4-dioxobutane-2-sulfonate
CID 140586125
(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate
CID 170264942

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate (CID 11287907) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate is C/C(=C\C(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)-2,4-dimethylpent-2-enoate?
The InChIKey is XPCWXIFEYPOJHB-ZKXNXJMVSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)6-9(3)11(14)17-10-12(15)16-7-13(10,4)5/h6,8,10H,7H2,1-5H3/b9-6+/t10-/m0/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.08, 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)-2,4-dimethylpent-2-enoate is sourced from PubChem (CID 11287907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).