2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

C11H16O5 — CID 58196051

IUPAC2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)=CCC1(CC(=O)O)O[C@@H](C)OC1=O
InChIInChI=1S/C11H16O5/c1-7(2)4-5-11(6-9(12)13)10(14)15-8(3)16-11/h4,8H,5-6H2,1-3H3,(H,12,13)/t8-,11?/m0/s1
InChIKeyVKPUXRMHRPXWPO-YMNIQAILSA-N
MW228.24 g/mol
LogP1.48
Rot. Bonds4

About 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 58196051) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID58196051
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)=CCC1(CC(=O)O)O[C@@H](C)OC1=O
InChIInChI=1S/C11H16O5/c1-7(2)4-5-11(6-9(12)13)10(14)15-8(3)16-11/h4,8H,5-6H2,1-3H3,(H,12,13)/t8-,11?/m0/s1
InChIKeyVKPUXRMHRPXWPO-YMNIQAILSA-N
XLogP1.48
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.48
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)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 58196051) is 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is CC(C)=CCC1(CC(=O)O)O[C@@H](C)OC1=O.
What is the InChIKey of 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is VKPUXRMHRPXWPO-YMNIQAILSA-N. The full InChI is InChI=1S/C11H16O5/c1-7(2)4-5-11(6-9(12)13)10(14)15-8(3)16-11/h4,8H,5-6H2,1-3H3,(H,12,13)/t8-,11?/m0/s1.
What are the key properties of 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 228.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-4-(3-methylbut-2-enyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 58196051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).