(3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate

C15H20O6 — CID 173382581

IUPAC(3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate
SMILESC=CC(=O)O/C(C)=C/C(C)(C)C(=O)OC1(C)CCOC1=O
InChIInChI=1S/C15H20O6/c1-6-11(16)20-10(2)9-14(3,4)12(17)21-15(5)7-8-19-13(15)18/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeyARIABXFCIHBDSI-MDZDMXLPSA-N
MW296.32 g/mol
LogP1.89
Rot. Bonds5

About (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate

(3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate (PubChem CID 173382581) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate.

Molecular Properties

Compound Name(3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate
PubChem CID173382581
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate
SMILESC=CC(=O)O/C(C)=C/C(C)(C)C(=O)OC1(C)CCOC1=O
InChIInChI=1S/C15H20O6/c1-6-11(16)20-10(2)9-14(3,4)12(17)21-15(5)7-8-19-13(15)18/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeyARIABXFCIHBDSI-MDZDMXLPSA-N
XLogP1.89
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate?
The IUPAC name of (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate (CID 173382581) is (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate.
What is the SMILES notation for (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate?
The canonical SMILES for (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate is C=CC(=O)O/C(C)=C/C(C)(C)C(=O)OC1(C)CCOC1=O.
What is the InChIKey of (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate?
The InChIKey is ARIABXFCIHBDSI-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20O6/c1-6-11(16)20-10(2)9-14(3,4)12(17)21-15(5)7-8-19-13(15)18/h6,9H,1,7-8H2,2-5H3/b10-9+.
What are the key properties of (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate?
(3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate has a molecular weight of 296.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-prop-2-enoyloxypent-3-enoate is sourced from PubChem (CID 173382581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).