2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid

C13H22O5 — CID 15357840

IUPAC2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid
SMILESC=C(C)C(C)OC(C)(C)C(=O)OC(C)(C)C(=O)O
InChIInChI=1S/C13H22O5/c1-8(2)9(3)17-13(6,7)11(16)18-12(4,5)10(14)15/h9H,1H2,2-7H3,(H,14,15)
InChIKeyIVAXXNZXMDYMJQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.15
Rot. Bonds6

About 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid

2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid (PubChem CID 15357840) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid
PubChem CID15357840
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid
SMILESC=C(C)C(C)OC(C)(C)C(=O)OC(C)(C)C(=O)O
InChIInChI=1S/C13H22O5/c1-8(2)9(3)17-13(6,7)11(16)18-12(4,5)10(14)15/h9H,1H2,2-7H3,(H,14,15)
InChIKeyIVAXXNZXMDYMJQ-UHFFFAOYSA-N
XLogP2.15
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.15
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-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid?
The IUPAC name of 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid (CID 15357840) is 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid.
What is the SMILES notation for 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid?
The canonical SMILES for 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid is C=C(C)C(C)OC(C)(C)C(=O)OC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid?
The InChIKey is IVAXXNZXMDYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-8(2)9(3)17-13(6,7)11(16)18-12(4,5)10(14)15/h9H,1H2,2-7H3,(H,14,15).
What are the key properties of 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid?
2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid has a molecular weight of 258.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoyl]oxypropanoic acid is sourced from PubChem (CID 15357840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).