2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid

C9H16O3 — CID 15357839

IUPAC2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid
SMILESC=C(C)C(C)OC(C)(C)C(=O)O
InChIInChI=1S/C9H16O3/c1-6(2)7(3)12-9(4,5)8(10)11/h7H,1H2,2-5H3,(H,10,11)
InChIKeyBPRXCXVWDQTCEY-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid

2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid (PubChem CID 15357839) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid
PubChem CID15357839
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid
SMILESC=C(C)C(C)OC(C)(C)C(=O)O
InChIInChI=1S/C9H16O3/c1-6(2)7(3)12-9(4,5)8(10)11/h7H,1H2,2-5H3,(H,10,11)
InChIKeyBPRXCXVWDQTCEY-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methylbut-3-en-2-yloxy)propanoic acid?
The IUPAC name of 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid (CID 15357839) is 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid is C=C(C)C(C)OC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid?
The InChIKey is BPRXCXVWDQTCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(2)7(3)12-9(4,5)8(10)11/h7H,1H2,2-5H3,(H,10,11).
What are the key properties of 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid?
2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbut-3-en-2-yloxy)propanoic acid is sourced from PubChem (CID 15357839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).