4-(2-methylprop-2-enoxy)butanoic acid

C8H14O3 — CID 10103402

IUPAC4-(2-methylprop-2-enoxy)butanoic acid
SMILESC=C(C)COCCCC(=O)O
InChIInChI=1S/C8H14O3/c1-7(2)6-11-5-3-4-8(9)10/h1,3-6H2,2H3,(H,9,10)
InChIKeyUVIJTUUVIBJMLJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.44
Rot. Bonds6

About 4-(2-methylprop-2-enoxy)butanoic acid

4-(2-methylprop-2-enoxy)butanoic acid (PubChem CID 10103402) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoxy)butanoic acid.

Molecular Properties

Compound Name4-(2-methylprop-2-enoxy)butanoic acid
PubChem CID10103402
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(2-methylprop-2-enoxy)butanoic acid
SMILESC=C(C)COCCCC(=O)O
InChIInChI=1S/C8H14O3/c1-7(2)6-11-5-3-4-8(9)10/h1,3-6H2,2H3,(H,9,10)
InChIKeyUVIJTUUVIBJMLJ-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[10-(2-methylprop-2-enoxy)decyl]propanedioic acid
CID 87259475
trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
CID 88729862
CID 59269543
CID 59269543
4-(acetyloxymethoxy)butanoic acid
CID 90487624
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
18-methylnonadec-18-enoic acid
CID 123841309
8-(3-carboxypropoxy)octanoic acid
CID 154155651
4-(3-methoxypropoxy)butanoic acid
CID 60918159
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
ethane;ethenol;formaldehyde;methanamine;2-methyl-3-[2-[3-(2-propoxyethoxy)propoxy]ethoxy]prop-1-ene;23-oxotetracosanoic acid;propanal
CID 164530678
4-(7-methoxyheptoxy)butanoic acid
CID 15409527

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoxy)butanoic acid?
The IUPAC name of 4-(2-methylprop-2-enoxy)butanoic acid (CID 10103402) is 4-(2-methylprop-2-enoxy)butanoic acid.
What is the SMILES notation for 4-(2-methylprop-2-enoxy)butanoic acid?
The canonical SMILES for 4-(2-methylprop-2-enoxy)butanoic acid is C=C(C)COCCCC(=O)O.
What is the InChIKey of 4-(2-methylprop-2-enoxy)butanoic acid?
The InChIKey is UVIJTUUVIBJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(2)6-11-5-3-4-8(9)10/h1,3-6H2,2H3,(H,9,10).
What are the key properties of 4-(2-methylprop-2-enoxy)butanoic acid?
4-(2-methylprop-2-enoxy)butanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoxy)butanoic acid is sourced from PubChem (CID 10103402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).