2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid

C15H24O5 — CID 11289107

IUPAC2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)/C=C/C[C@]1(CC(=O)O)O[C@@H](C(C)(C)C)OC1=O
InChIInChI=1S/C15H24O5/c1-10(2)7-6-8-15(9-11(16)17)12(18)19-13(20-15)14(3,4)5/h6-7,10,13H,8-9H2,1-5H3,(H,16,17)/b7-6+/t13-,15+/m0/s1
InChIKeyIFZIUVVXFBAKGA-RPWHMATFSA-N
MW284.35 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid

2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 11289107) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID11289107
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)/C=C/C[C@]1(CC(=O)O)O[C@@H](C(C)(C)C)OC1=O
InChIInChI=1S/C15H24O5/c1-10(2)7-6-8-15(9-11(16)17)12(18)19-13(20-15)14(3,4)5/h6-7,10,13H,8-9H2,1-5H3,(H,16,17)/b7-6+/t13-,15+/m0/s1
InChIKeyIFZIUVVXFBAKGA-RPWHMATFSA-N
XLogP2.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
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-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 11289107) is 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid is CC(C)/C=C/C[C@]1(CC(=O)O)O[C@@H](C(C)(C)C)OC1=O.
What is the InChIKey of 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is IFZIUVVXFBAKGA-RPWHMATFSA-N. The full InChI is InChI=1S/C15H24O5/c1-10(2)7-6-8-15(9-11(16)17)12(18)19-13(20-15)14(3,4)5/h6-7,10,13H,8-9H2,1-5H3,(H,16,17)/b7-6+/t13-,15+/m0/s1.
What are the key properties of 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 284.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-tert-butyl-4-[(E)-4-methylpent-2-enyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 11289107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).