(2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate

C13H20O4 — CID 71001640

IUPAC(2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate
SMILESCC(C)=CC(C(=O)OC1CCOC1=O)C(C)C
InChIInChI=1S/C13H20O4/c1-8(2)7-10(9(3)4)12(14)17-11-5-6-16-13(11)15/h7,9-11H,5-6H2,1-4H3
InChIKeyBTDADEPMMYSANV-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.08
Rot. Bonds4

About (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate

(2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate (PubChem CID 71001640) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate
PubChem CID71001640
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate
SMILESCC(C)=CC(C(=O)OC1CCOC1=O)C(C)C
InChIInChI=1S/C13H20O4/c1-8(2)7-10(9(3)4)12(14)17-11-5-6-16-13(11)15/h7,9-11H,5-6H2,1-4H3
InChIKeyBTDADEPMMYSANV-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate?
The IUPAC name of (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate (CID 71001640) is (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate is CC(C)=CC(C(=O)OC1CCOC1=O)C(C)C.
What is the InChIKey of (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate?
The InChIKey is BTDADEPMMYSANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)7-10(9(3)4)12(14)17-11-5-6-16-13(11)15/h7,9-11H,5-6H2,1-4H3.
What are the key properties of (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate?
(2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-methyl-2-propan-2-ylpent-3-enoate is sourced from PubChem (CID 71001640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).