2-(butoxymethyl)prop-2-enoic acid

C8H14O3 — CID 23505124

IUPAC2-(butoxymethyl)prop-2-enoic acid
SMILESC=C(COCCCC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-4-5-11-6-7(2)8(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyRABFGKMADVOGHR-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.44
Rot. Bonds6

About 2-(butoxymethyl)prop-2-enoic acid

2-(butoxymethyl)prop-2-enoic acid (PubChem CID 23505124) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(butoxymethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(butoxymethyl)prop-2-enoic acid
PubChem CID23505124
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(butoxymethyl)prop-2-enoic acid
SMILESC=C(COCCCC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-4-5-11-6-7(2)8(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyRABFGKMADVOGHR-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)prop-2-enoic acid?
The IUPAC name of 2-(butoxymethyl)prop-2-enoic acid (CID 23505124) is 2-(butoxymethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(butoxymethyl)prop-2-enoic acid?
The canonical SMILES for 2-(butoxymethyl)prop-2-enoic acid is C=C(COCCCC)C(=O)O.
What is the InChIKey of 2-(butoxymethyl)prop-2-enoic acid?
The InChIKey is RABFGKMADVOGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-5-11-6-7(2)8(9)10/h2-6H2,1H3,(H,9,10).
What are the key properties of 2-(butoxymethyl)prop-2-enoic acid?
2-(butoxymethyl)prop-2-enoic 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 2-(butoxymethyl)prop-2-enoic acid is sourced from PubChem (CID 23505124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).